Genomics

Cas#: 58537-94-3        Compound CID:  11402688

Formula:  C₉H₁₈N₂O₂·2HCl        Molecular Weight: 259.17

IUPAC Name: dimethyl heptanediimidate;dihydrochloride

SMILES: COC(=N)CCCCCC(=N)OC.Cl.Cl

InChIKey: LRHXBHUTQWIZTN-UHFFFAOYSA-N

InChI: InChI=1S/C9H18N2O2.2ClH/c1-12-8(10)6-4-3-5-7-9(11)13-2;;/h10-11H,3-7H2,1-2H3;2*1H

Cas#: 23323-37-7        Compound CID:  90064

Formula:  C₁₄H₃₁NO₅        Molecular Weight: 293.4

IUPAC Name: (2R,3R,4R,5S)-6-(octylamino)hexane-1,2,3,4,5-pentol

SMILES: CCCCCCCCNCC(C(C(C(CO)O)O)O)O

InChIKey: ZRRNJJURLBXWLL-REWJHTLYSA-N

InChI: InChI=1S/C14H31NO5/c1-2-3-4-5-6-7-8-15-9-11(17)13(19)14(20)12(18)10-16/h11-20H,2-10H2,1H3/t11-,12+,13+,14+/m0/s1

Cas#: 1405-41-0        Compound CID:  254759844

Formula:  C₂₁H₄₃N₅O₇.H₂SO₄        Molecular Weight: 575.67

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#: 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#: 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#: 68892-42-2        Compound CID:  135407017

Formula:  C₁₄H₁₉N₅O₅        Molecular Weight: 337.33

IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)CO)O

InChIKey: SIDXEQFMTMICKG-DJLDLDEBSA-N

InChI: InChI=1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1

Cas#: 68892-41-1        Compound CID:  135445746

Formula:  C₃₅H₃₇N₅O₇        Molecular Weight: 639.7

IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

InChIKey: RMQXDNUKLIDXOS-ZGIBFIJWSA-N

InChI: InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1

Cas#: 64350-24-9        Compound CID:  135722152

Formula:  C₁₄H₁₉N₅O₆·H₂O        Molecular Weight: 371.36

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

SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O

InChIKey: OXTYJSXVUGJSGM-HTVVRFAVSA-N

InChI: InChI=1S/C14H19N5O6/c1-5(2)11(23)17-14-16-10-7(12(24)18-14)15-4-19(10)13-9(22)8(21)6(3-20)25-13/h4-6,8-9,13,20-22H,3H2,1-2H3,(H2,16,17,18,23,24)/t6-,8-,9-,13-/m1/s1

Cas#: 108321-42-2        Compound CID:  16218858

Formula:  C₂₀H₄₀N₄O₁₀·2H₂SO₄        Molecular Weight: 692.71

IUPAC Name: (2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid

SMILES: CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChIKey: UHEPSJJJMTWUCP-NKCAIAFTSA-N

InChI: InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;;/m0../s1

Cas#: 1008402-79-6        Compound CID:  77078480

Formula:  C₃₀H₄₈N₂O₁₇        Molecular Weight: 708.7

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

InChIKey: CQWLSZJYTZVHMU-UHFFFAOYSA-N

InChI: InChI=1S/C30H48N2O17/c33-25-1-2-26(34)31(25)48-29(37)5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-24-22-46-20-18-44-16-14-42-12-10-40-8-6-30(38)49-32-27(35)3-4-28(32)36/h1-24H2