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

Systemtic Name: methyl 4-methyl-3-(4-methylphenyl)-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(4-hydroxy-3-nitro-phenyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-hydroxy-3-nitrophenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-hydroxy-3-nitrophenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-hydroxy-3-nitro-phenyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-11-4-7-14(8-5-11)22-12(2)17(19(25)28-3)18(21-20(22)29)13-6-9-16(24)15(10-13)23(26)27/h4-10,18,24H,1-3H3,(H,21,29)