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

Systemtic Name: 2-(4-ethylpiperazin-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-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-(4-ethyl-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-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C21H32N8O2+2 MolecularWeight: 428.53118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N8O2/c1-2-25-8-14-28(15-9-25)21-23-19(22)18(29(30)31)20(24-21)27-12-10-26(11-13-27)16-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3,(H2,22,23,24)/p+2