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

Systemtic Name: ethyl 4-[(3-ethylphenyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-ethylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-ethylanilino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-ethylanilino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC2=C3C(=C(SC3=NC(=N2)CSC4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC2=C3C(=C(SC3=NC(=N2)CSC4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C25H25N3O2S2/c1-4-17-10-9-11-18(14-17)26-23-21-16(3)22(25(29)30-5-2)32-24(21)28-20(27-23)15-31-19-12-7-6-8-13-19/h6-14H,4-5,15H2,1-3H3,(H,26,27,28)