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

Systemtic Name: (3,5-dimethoxyphenyl) 5-azanyl-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (3,5-dimethoxyphenyl) 5-amino-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (3,5-dimethoxyphenyl) ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(N=C(N=C3S2)SC)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(N=C(N=C3S2)SC)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C22H19N3O4S2/c1-27-13-9-14(28-2)11-15(10-13)29-21(26)19-17(23)16-18(12-7-5-4-6-8-12)24-22(30-3)25-20(16)31-19/h4-11H,23H2,1-3H3