1-[4-[(2,4-dimethylphenyl)amino]-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-[(2,4-dimethylphenyl)amino]-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-(2,4-dimethylanilino)-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[[4-(2,4-dimethylanilino)-3,5-dinitro-1-cyclohexa-1,5-dienyl]-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[4-(2,4-dimethylanilino)-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl]-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[4-(2,4-dimethylanilino)-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2C(C=C(C=C2[N+](=O)[O-])C(=O)N3C(=CC(=O)N(C3=S)C(C)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2C(C=C(C=C2[N+](=O)[O-])C(=O)N3C(=CC(=O)N(C3=S)C(C)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N5O6S/c1-12(2)25-20(29)9-15(5)26(23(25)35)22(30)16-10-18(27(31)32)21(19(11-16)28(33)34)24-17-7-6-13(3)8-14(17)4/h6-12,18,21,24H,1-5H3