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

Systemtic Name: (4-methoxyphenyl) 5-azanyl-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-methoxyphenyl) 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 (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 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 (4-methoxyphenyl) ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S2/c1-26-13-8-10-14(11-9-13)27-20(25)18-16(22)15-17(12-6-4-3-5-7-12)23-21(28-2)24-19(15)29-18/h3-11H,22H2,1-2H3