4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-cyanophenyl)-6-methyl-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C22H19N3O5S/c1-13-18(20(26)27)19(16-5-3-4-15(10-16)11-23)25(22(28)29)21(24-13)31-12-14-6-8-17(30-2)9-7-14/h3-10,19H,12H2,1-2H3,(H,26,27)(H,28,29)