ethyl 4-[(4-ethoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride

Systemtic Name: ethyl 4-[(4-ethoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride Openeye Name: ethyl 4-(4-ethoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride CAS Name: 4-(4-ethoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate hydrochloride Traditional Name: 4-(4-carbethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester hydrochloride Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C.Cl

InChI

InChI=1S/C19H19N3O4S.ClH/c1-4-25-18(23)12-6-8-13(9-7-12)22-16-14-11(3)15(19(24)26-5-2)27-17(14)21-10-20-16;/h6-10H,4-5H2,1-3H3,(H,20,21,22);1H