1-(3,5-dinitro-4-phenylazanyl-phenyl)carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(3,5-dinitro-4-phenylazanyl-phenyl)carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-anilino-3,5-dinitro-benzoyl)-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[(4-anilino-3,5-dinitrophenyl)-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-anilino-3,5-dinitrobenzoyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-anilino-3,5-dinitro-benzoyl)-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H19N5O6S/c1-12(2)23-18(27)9-13(3)24(21(23)33)20(28)14-10-16(25(29)30)19(17(11-14)26(31)32)22-15-7-5-4-6-8-15/h4-12,22H,1-3H3