6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-(4-methyl-1-piperazin-4-iumyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(3R,5R)-3,5-dimethylpiperidino]-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C16H28N7O2+ MolecularWeight: 350.43922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)N3CC[NH+](CC3)C)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)N3CC[NH+](CC3)C)N)[N+](=O)[O-])C

InChI

InChI=1S/C16H27N7O2/c1-11-8-12(2)10-22(9-11)15-13(23(24)25)14(17)18-16(19-15)21-6-4-20(3)5-7-21/h11-12H,4-10H2,1-3H3,(H2,17,18,19)/p+1/t11-,12-/m1/s1