Nucleosides & Nucleotides

Cas#: 94825-44-2        Compound CID:  135445735

Formula:  C₁₀H₁₆N₅O₁₃P₃S • 4Li        Molecular Weight: 567

IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate

SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N=C(NC2=O)N

InChIKey: AMQXJFWJOAWCPV-ZVQJTLEUSA-J

InChI: InChI=1S/C10H16N5O13P3S.4Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32;;;;/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1

Cas#: 2002-35-9        Compound CID:  168948

Formula:  C₁₁H₁₅N₅O₃        Molecular Weight: 265.27

IUPAC Name: (2R,3S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol

SMILES: CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)CO)O

InChIKey: DYSDOYRQWBDGQQ-XLPZGREQSA-N

InChI: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1

Cas#: 698999-85-8        Compound CID:  90475149

Formula:  C₂₁H₂₇N₇NaO₁₇P₃ · xH₂O        Molecular Weight: 765.39 (anhydrous basis)

IUPAC Name: sodium;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;hydrate

SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N.O.[Na+]

InChIKey: CYQLUFJYVTUUFN-WUEGHLCSSA-M

InChI: InChI=1S/C21H28N7O17P3.Na.H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;1H2/q;+1;/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1

Cas#: 152918-32-6        Compound CID:  46783699

Formula:  C₁₉H₂₂N₆O₄        Molecular Weight: 398.42

IUPAC Name: (2S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)O)O

InChIKey: VVHDYJFDZYHAMR-XODXHAEBSA-N

InChI: InChI=1S/C19H22N6O4/c1-2-20-18(28)15-13(26)14(27)19(29-15)25-10-24-12-16(22-9-23-17(12)25)21-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,26-27H,2,8H2,1H3,(H,20,28)(H,21,22,23)/t13?,14-,15-,19+/m0/s1

Cas#: 24719-82-2 free acid        Compound CID:  161466

Formula:  C₁₅H₁₉N₆O₈・Na        Molecular Weight: 434.34

IUPAC Name: (2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid

SMILES: CC(C(C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O

InChIKey: UNUYMBPXEFMLNW-DWVDDHQFSA-N

InChI: InChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/t5-,6-,7+,9-,10-,13-/m1/s1

Cas#: 206752-42-3        Compound CID:  16211731

Formula:  C₁₇H₁₇N₅O₄ · xH₂O        Molecular Weight: 355.35

IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;hydrate

SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O.O

InChIKey: WRMYMWRRSSDKIJ-LUHWTZLKSA-N

InChI: InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1

Cas#: 64325-78-6        Compound CID:  2724489

Formula:  C₃₈H₃₅N₅O₆        Molecular Weight: 657.71

IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide

SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O

InChIKey: LPICNYATEWGYHI-WIHCDAFUSA-N

InChI: InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1

Cas#: 100929-71-3        Compound CID:  71312102

Formula:  C₄₅H₈₂N₁₁O₁₇P₃        Molecular Weight: 1142.12

IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;cyclohexanamine

SMILES: C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O

InChIKey: PTKRUDMLGIIORX-ITGWJZMWSA-N

InChI: InChI=1S/C21H30N7O17P3.4C6H13N/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;4*7-6-4-2-1-3-5-6/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);4*6H,1-5,7H2/t10-,11-,13-,14-,15-,16-,20-,21-;;;;/m1..../s1

Cas#: 13089-48-0        Compound CID:  10066259

Formula:  C₁₆H₁₇N₃O₆        Molecular Weight: 347.32

IUPAC Name: N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O

InChIKey: BNXBRFDWSPXODM-BPGGGUHBSA-N

InChI: InChI=1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)/t10-,12-,13-,15-/m1/s1

Cas#: 52571-45-6        Compound CID:  13852838

Formula:  C₁₇H₁₉N₃O₆        Molecular Weight: 361.35

IUPAC Name: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

SMILES: COC1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O

InChIKey: LIZIIHWLABYQKD-XKVFNRALSA-N

InChI: InChI=1S/C17H19N3O6/c1-25-14-13(22)11(9-21)26-16(14)20-8-7-12(19-17(20)24)18-15(23)10-5-3-2-4-6-10/h2-8,11,13-14,16,21-22H,9H2,1H3,(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1

Cas#: 4836-13-9        Compound CID:  9797617

Formula:  C₁₆H₁₇N₃O₅        Molecular Weight: 331.32

IUPAC Name: N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

SMILES: C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O

InChIKey: MPSJHJFNKMUKCN-OUCADQQQSA-N

InChI: InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1

Cas#: 2140-77-4        Compound CID:  135501934

Formula:  C₁₁H₁₅N₅O₅        Molecular Weight: 297.27

IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-1H-purin-6-one

SMILES: CNC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O

InChIKey: SLEHROROQDYRAW-KQYNXXCUSA-N

InChI: InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1