N4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)amine Formula: C9H16N7O2+ MolecularWeight: 254.26904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C9H15N7O2/c1-14-2-4-15(5-3-14)13-9-7(16(17)18)8(10)11-6-12-9/h6H,2-5H2,1H3,(H3,10,11,12,13)/p+1