4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 4-benzofurazan-4-yl-6-methyl-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C21H18N4O6S MolecularWeight: 454.45582

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=CC4=NON=C43)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC4=NON=C43)C(=O)O

InChI

InChI=1S/C21H18N4O6S/c1-11-16(19(26)27)18(14-4-3-5-15-17(14)24-31-23-15)25(21(28)29)20(22-11)32-10-12-6-8-13(30-2)9-7-12/h3-9,18H,10H2,1-2H3,(H,26,27)(H,28,29)