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

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(3-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3-benzyloxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(3-phenylmethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(3-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(3-benzoxyphenyl)-2-(methylthio)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)SC)C3=CC(=CC=C3)OCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OCC4=CC=CC=C4)N

InChI

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