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

Systemtic Name: methyl (6S)-3-(3,5-dimethylphenyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(3,5-dimethylphenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3,5-dimethylphenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(3,5-dimethylphenyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3,5-dimethylphenyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-11-7-12(2)9-15(8-11)23-13(3)18(20(26)29-4)19(22-21(23)30)14-5-6-17(25)16(10-14)24(27)28/h5-10,19,25H,1-4H3,(H,22,30)/t19-/m0/s1