ethyl 5-azanyl-4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-benzylsulfanyl-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(4-methoxyphenyl)-2-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-benzylsulfanyl-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(benzylthio)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC)N

InChI

InChI=1S/C23H21N3O3S2/c1-3-29-22(27)20-18(24)17-19(15-9-11-16(28-2)12-10-15)25-23(26-21(17)31-20)30-13-14-7-5-4-6-8-14/h4-12H,3,13,24H2,1-2H3