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

Systemtic Name: methyl (6R)-6-(2-chloranyl-5-nitro-phenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(2-chloro-5-nitro-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(2-chloro-5-nitrophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(2-chloro-5-nitrophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(2-chloro-5-nitro-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4S/c1-11-5-4-6-13(9-11)23-12(2)17(19(25)28-3)18(22-20(23)29)15-10-14(24(26)27)7-8-16(15)21/h4-10,18H,1-3H3,(H,22,29)/t18-/m0/s1