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

Systemtic Name: propan-2-yl 4-[(4-ethoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 4-(4-ethoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-carbethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC(C)C)C

InChI

InChI=1S/C20H21N3O4S/c1-5-26-19(24)13-6-8-14(9-7-13)23-17-15-12(4)16(20(25)27-11(2)3)28-18(15)22-10-21-17/h6-11H,5H2,1-4H3,(H,21,22,23)