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

Systemtic Name: ethyl 4-[(4-methoxycarbonylphenyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-methoxycarbonylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-methoxycarbonylanilino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxycarbonylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-carbomethoxyanilino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H23N3O4S2/c1-4-32-25(30)21-15(2)20-22(26-17-12-10-16(11-13-17)24(29)31-3)27-19(28-23(20)34-21)14-33-18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,26,27,28)