5-(3-Furan-2-yl-allylidene)-2-selenoxo-dihydropyrimidine-4,6-dione

ID: ALA4160982

PubChem CID: 145956710

Max Phase: Preclinical

Molecular Formula: C11H8N2O3Se

Molecular Weight: 295.16

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C1NC(=[Se])NC(=O)C1=C/C=C/c1ccco1

Standard InChI:  InChI=1S/C11H8N2O3Se/c14-9-8(10(15)13-11(17)12-9)5-1-3-7-4-2-6-16-7/h1-6H,(H2,12,13,14,15,17)/b3-1+

Standard InChI Key:  GQYQPTDJMBIDBU-HNQUOIGGSA-N

Molfile:  

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   14.8888   -9.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1810   -9.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4691   -9.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4691   -8.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1810   -7.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8888   -8.1872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7613   -9.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1810   -6.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5965   -9.4138    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   12.7613   -7.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0535   -8.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   -7.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870   -7.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6339   -8.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5487   -8.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7469   -9.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3394   -8.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  1  6  1  0
  3  7  2  0
  5  8  2  0
  1  9  2  0
 10 11  1  0
 11 12  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 13 17  1  0
 12 14  1  0
  4 10  2  0
M  END

Alternative Forms

1. Parent:

   

   ALA4160982

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 295.16

Molecular Weight (Monoisotopic): 295.9700

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References

1. Ramisetti SR, Pandey MK, Lee SY, Karelia D, Narayan S, Amin S, Sharma AK..  (2018)  Design and synthesis of novel thiobarbituric acid derivatives targeting both wild-type and BRAF-mutated melanoma cells.,  143  [PMID:29133035] [10.1016/j.ejmech.2017.11.006]

Source

Source(1):

• Scientific Literature