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

Systemtic Name: 4-(2-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(2-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 4-(2-chlorophenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(2-chlorophenyl)-6-methyl-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O5S/c1-12-17(19(25)26)18(15-5-3-4-6-16(15)22)24(21(27)28)20(23-12)30-11-13-7-9-14(29-2)10-8-13/h3-10,18H,11H2,1-2H3,(H,25,26)(H,27,28)