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

Systemtic Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-[(4-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-isopropylanilino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(phenylthio)methyl]-4-(4-propan-2-ylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-cumidino-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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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(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S2/c1-5-31-26(30)23-17(4)22-24(27-19-13-11-18(12-14-19)16(2)3)28-21(29-25(22)33-23)15-32-20-9-7-6-8-10-20/h6-14,16H,5,15H2,1-4H3,(H,27,28,29)