6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C12H20N7O2+ MolecularWeight: 294.3329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N7O2/c1-3-4-14-12-15-10(13)9(19(20)21)11(16-12)18-7-5-17(2)6-8-18/h3H,1,4-8H2,2H3,(H3,13,14,15,16)/p+1