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

Systemtic Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-[2-(4-methoxyphenyl)ethylthio]-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-[2-(4-methoxyphenyl)ethylsulfanyl]-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-[2-(4-methoxyphenyl)ethylthio]-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C22H24N2O3S2 MolecularWeight: 428.56756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCCC2=CC=C(C=C2)OC)C3=CC=CC=C3SC)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCCC2=CC=C(C=C2)OC)C3=CC=CC=C3SC)C(=O)O

InChI

InChI=1S/C22H24N2O3S2/c1-14-19(21(25)26)20(17-6-4-5-7-18(17)28-3)24-22(23-14)29-13-12-15-8-10-16(27-2)11-9-15/h4-11,20H,12-13H2,1-3H3,(H,23,24)(H,25,26)