N2-[(2S)-butan-2-yl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(2S)-butan-2-yl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(2S)-butan-2-yl]-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C13H24N7O2+ MolecularWeight: 310.37536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

InChI

InChI=1S/C13H23N7O2/c1-4-9(2)15-13-16-11(14)10(20(21)22)12(17-13)19-7-5-18(3)6-8-19/h9H,4-8H2,1-3H3,(H3,14,15,16,17)/p+1/t9-/m0/s1