methyl (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-methyl-6-(2-nitrophenyl)-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-methyl-3-(4-methylphenyl)-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-(2-nitrophenyl)-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C20H19N3O4S/c1-12-8-10-14(11-9-12)22-13(2)17(19(24)27-3)18(21-20(22)28)15-6-4-5-7-16(15)23(25)26/h4-11,18H,1-3H3,(H,21,28)/t18-/m1/s1