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

Systemtic Name: ethyl 6-[3-[(3,5-dinitrophenyl)carbonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N5O7S MolecularWeight: 513.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C23H23N5O7S/c1-4-26-13(3)19(22(30)35-5-2)20(25-23(26)36)14-7-6-8-16(9-14)24-21(29)15-10-17(27(31)32)12-18(11-15)28(33)34/h6-12,20H,4-5H2,1-3H3,(H,24,29)(H,25,36)