1-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C16H17N7O2 MolecularWeight: 339.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CCCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H17N7O2/c1-11-5-4-8-21(9-11)15-14(23(24)25)16(18-10-17-15)22-13-7-3-2-6-12(13)19-20-22/h2-3,6-7,10-11H,4-5,8-9H2,1H3