(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C14H12N4O3S2/c1-8(16)10(4-15)11(19)5-21-12(20)6-23-14-9-2-3-22-13(9)17-7-18-14/h2-3,7,10,16H,5-6H2,1H3