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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-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-piperazin-4-iumyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C20H30N8O2+2 MolecularWeight: 414.5046

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H28N8O2/c1-24-7-11-27(12-8-24)20-22-18(21)17(28(29)30)19(23-20)26-13-9-25(10-14-26)15-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H2,21,22,23)/p+2