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

Systemtic Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C16H13N7O2 MolecularWeight: 335.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)C

InChI

InChI=1S/C16H13N7O2/c1-10-7-11(2)22(20-10)16-14(23(24)25)15(17-8-18-16)21-9-19-12-5-3-4-6-13(12)21/h3-9H,1-2H3