4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-6-methyl-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3S/c1-12-17(19(24)25)18(14-4-3-5-15(21)10-14)23-20(22-12)27-11-13-6-8-16(26-2)9-7-13/h3-10,18H,11H2,1-2H3,(H,22,23)(H,24,25)