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

Systemtic Name: phenethyl 4-[(3-methoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3-methoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-methoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-carbomethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C(=O)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C(=O)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-15-19-21(27-18-10-6-9-17(13-18)23(28)30-2)25-14-26-22(19)32-20(15)24(29)31-12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,27)