6-(4-methylpiperidin-1-yl)-5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperidin-1-yl)-5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperidinyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H30N7O2+ MolecularWeight: 412.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O2/c1-16-7-9-26(10-8-16)20-18(28(29)30)19(22)23-21(24-20)27-13-11-25(12-14-27)15-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H2,22,23,24)/p+1