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

Systemtic Name: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-13-18(20(24)25)19(15-6-10-17(27-3)11-7-15)23-21(22-13)28-12-14-4-8-16(26-2)9-5-14/h4-11,19H,12H2,1-3H3,(H,22,23)(H,24,25)