2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4,6-diamine CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C14H24N7O3+ MolecularWeight: 338.38546

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NC[C@H]3CCCO3)[N+](=O)[O-])N

InChI

InChI=1S/C14H23N7O3/c1-19-4-6-20(7-5-19)14-17-12(15)11(21(22)23)13(18-14)16-9-10-3-2-8-24-10/h10H,2-9H2,1H3,(H3,15,16,17,18)/p+1/t10-/m1/s1