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

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]thiophene-3-carboxylic acid ethyl ester Formula: C16H16N4O3S3 MolecularWeight: 408.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=CS3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=CS3)C(=O)NC)N

InChI

InChI=1S/C16H16N4O3S3/c1-3-23-16(22)10-9(11(13(21)18-2)26-12(10)17)6-25-15-8-4-5-24-14(8)19-7-20-15/h4-5,7H,3,6,17H2,1-2H3,(H,18,21)