6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-N2-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-2-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C15H26N7O3+ MolecularWeight: 352.41204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N7O3/c1-2-20-5-7-21(8-6-20)14-12(22(23)24)13(16)18-15(19-14)17-10-11-4-3-9-25-11/h11H,2-10H2,1H3,(H3,16,17,18,19)/p+1/t11-/m1/s1