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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N6O2/c1-11-8-12(2)21(20-11)16-14(22(23)24)15(18-10-19-16)17-9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,17,18,19)