ethyl 5-azanyl-4-cyano-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H12N4O2S3 MolecularWeight: 376.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C15H12N4O2S3/c1-2-21-15(20)11-10(9(5-16)12(17)24-11)6-23-14-8-3-4-22-13(8)18-7-19-14/h3-4,7H,2,6,17H2,1H3