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

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C17H18N6O2/c1-11-4-6-14(7-5-11)9-18-16-15(23(24)25)17(20-10-19-16)22-13(3)8-12(2)21-22/h4-8,10H,9H2,1-3H3,(H,18,19,20)