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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

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