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

Systemtic Name: ethyl 4-[(3,4-diethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C)OCC

InChI

InChI=1S/C20H23N3O4S/c1-5-25-14-9-8-13(10-15(14)26-6-2)23-18-16-12(4)17(20(24)27-7-3)28-19(16)22-11-21-18/h8-11H,5-7H2,1-4H3,(H,21,22,23)