1-(4-bromanyl-3,5-dinitro-cyclohexa-1,5-dien-1-yl)carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-bromanyl-3,5-dinitro-cyclohexa-1,5-dien-1-yl)carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-bromo-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl)-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[(4-bromo-3,5-dinitro-1-cyclohexa-1,5-dienyl)-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-bromo-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl)-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C15H15BrN4O6S MolecularWeight: 459.2718

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O6S/c1-7(2)17-12(21)4-8(3)18(15(17)27)14(22)9-5-10(19(23)24)13(16)11(6-9)20(25)26/h4-7,10,13H,1-3H3