6-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-(2-methoxy-5-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C17H18N6O3/c1-10-5-6-14(26-4)13(7-10)20-16-15(23(24)25)17(19-9-18-16)22-12(3)8-11(2)21-22/h5-9H,1-4H3,(H,18,19,20)