2-methylpropyl 6-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C24H25ClN4O5S MolecularWeight: 516.9971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C24H25ClN4O5S/c1-13(2)12-34-23(31)20-14(3)28(4)24(35)27-21(20)15-6-5-7-17(10-15)26-22(30)16-8-9-18(25)19(11-16)29(32)33/h5-11,13,21H,12H2,1-4H3,(H,26,30)(H,27,35)