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

Systemtic Name: 1-[4-[(4-methoxyphenyl)amino]-3,5-dinitro-phenyl]carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 3-isopropyl-1-[4-(4-methoxyanilino)-3,5-dinitro-benzoyl]-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[[4-(4-methoxyanilino)-3,5-dinitrophenyl]-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[3,5-dinitro-4-(p-anisidino)benzoyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C22H21N5O7S MolecularWeight: 499.49644

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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=C(C=C3)OC)[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=C(C=C3)OC)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H21N5O7S/c1-12(2)24-19(28)9-13(3)25(22(24)35)21(29)14-10-17(26(30)31)20(18(11-14)27(32)33)23-15-5-7-16(34-4)8-6-15/h5-12,23H,1-4H3