methyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-[3-[(4-nitrobenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-[3-[(4-nitrobenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[(4-nitrobenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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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)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-12-17(20(27)30-3)18(23-21(31)24(12)2)14-5-4-6-15(11-14)22-19(26)13-7-9-16(10-8-13)25(28)29/h4-11,18H,1-3H3,(H,22,26)(H,23,31)