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

Systemtic Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylthio]-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-chlorophenyl)-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC=C(C(N2C(=O)O)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC=C(C(N2C(=O)O)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN2O5S/c1-28-15-7-5-12(6-8-15)11-29-19-22-10-16(18(24)25)17(23(19)20(26)27)13-3-2-4-14(21)9-13/h2-10,17H,11H2,1H3,(H,24,25)(H,26,27)