2,6-bis(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 2,6-bis(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2,6-bis(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2,6-bis(4-methyl-1-piperazin-4-iumyl)-5-nitro-4-pyrimidinamine IUPAC Name: 2,6-bis(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2,6-bis(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C14H26N8O2+2 MolecularWeight: 338.40864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N8O2/c1-18-3-7-20(8-4-18)13-11(22(23)24)12(15)16-14(17-13)21-9-5-19(2)6-10-21/h3-10H2,1-2H3,(H2,15,16,17)/p+2