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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-[2-(methylthio)phenyl]-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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=C3SC)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=CC=C3SC)C(=O)O

InChI

InChI=1S/C21H22N2O3S2/c1-13-18(20(24)25)19(16-6-4-5-7-17(16)27-3)23-21(22-13)28-12-14-8-10-15(26-2)11-9-14/h4-11,19H,12H2,1-3H3,(H,22,23)(H,24,25)