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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(m-tolyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(m-tolyl)-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(NC(=N2)SCC3=CC=C(C=C3)OC)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2C(=C(NC(=N2)SCC3=CC=C(C=C3)OC)C)C(=O)O

InChI

InChI=1S/C21H22N2O3S/c1-13-5-4-6-16(11-13)19-18(20(24)25)14(2)22-21(23-19)27-12-15-7-9-17(26-3)10-8-15/h4-11,19H,12H2,1-3H3,(H,22,23)(H,24,25)