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

Systemtic Name: 2-methoxyethyl 6-[3-[(3,5-dinitrophenyl)carbonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C23H23N5O8S MolecularWeight: 529.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O8S/c1-13-19(22(30)36-8-7-35-3)20(25-23(37)26(13)2)14-5-4-6-16(9-14)24-21(29)15-10-17(27(31)32)12-18(11-15)28(33)34/h4-6,9-12,20H,7-8H2,1-3H3,(H,24,29)(H,25,37)