6-methyl-1-[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-methyl-1-[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 3-isopropyl-6-methyl-1-[4-(4-methylanilino)-3,5-dinitro-benzoyl]-2-thioxo-pyrimidin-4-one CAS Name: 6-methyl-1-[[4-(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-methyl-1-[4-(4-methylanilino)-3,5-dinitrobenzoyl]-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[3,5-dinitro-4-(p-toluidino)benzoyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C22H21N5O6S MolecularWeight: 483.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C(=CC(=O)N(C3=S)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C(=CC(=O)N(C3=S)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6S/c1-12(2)24-19(28)9-14(4)25(22(24)34)21(29)15-10-17(26(30)31)20(18(11-15)27(32)33)23-16-7-5-13(3)6-8-16/h5-12,23H,1-4H3