6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-(p-tolyl)pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-(4-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)19-15-14(22(23)24)16(18-9-17-15)21-12(3)8-11(2)20-21/h4-9H,1-3H3,(H,17,18,19)