ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-ketothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H12N4O3S2 MolecularWeight: 360.41078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C15H12N4O3S2/c1-2-22-15(21)11-10(9(5-16)12(17)24-11)6-19-7-18-13-8(14(19)20)3-4-23-13/h3-4,7H,2,6,17H2,1H3