6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide

Systemtic Name: 6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Openeye Name: 6-methyl-2-methylsulfanyl-N-(o-tolyl)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide CAS Name: 6-methyl-N-(2-methylphenyl)-2-(methylthio)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide IUPAC Name: 6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Traditional Name: 6-methyl-2-(methylthio)-N-(o-tolyl)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=[NH+]C2C3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=[NH+]C2C3=CC=CC=C3)SC)C

InChI

InChI=1S/C20H21N3OS/c1-13-9-7-8-12-16(13)22-19(24)17-14(2)21-20(25-3)23-18(17)15-10-5-4-6-11-15/h4-12,18H,1-3H3,(H,21,23)(H,22,24)/p+1