1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]azepane Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C15H20N6O2/c1-11-9-12(2)20(18-11)15-13(21(22)23)14(16-10-17-15)19-7-5-3-4-6-8-19/h9-10H,3-8H2,1-2H3