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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(4-benzylpiperazino)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C20H29N8O2+ MolecularWeight: 413.49666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

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