4-[[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-6-methyl-5-nitro-4-pyrimidinyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-6-methyl-5-nitropyrimidin-4-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H27N9O4 MolecularWeight: 541.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H27N9O4/c1-16-23(36(39)40)24(29-21-17(2)32(4)34(25(21)37)19-12-8-6-9-13-19)31-27(28-16)30-22-18(3)33(5)35(26(22)38)20-14-10-7-11-15-20/h6-15H,1-5H3,(H2,28,29,30,31)