3-[[4-azanyl-5-nitro-6-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-2-yl]amino]propylazanium

Systemtic Name: 3-[[4-azanyl-5-nitro-6-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-2-yl]amino]propylazanium Openeye Name: 3-[[4-amino-5-nitro-6-[[(2S)-tetrahydrofuran-2-yl]methylamino]pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-5-nitro-6-[[(2S)-2-oxolanyl]methylamino]-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[4-amino-5-nitro-6-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-2-yl]amino]propylazanium Traditional Name: 3-[[4-amino-5-nitro-6-[[(2S)-tetrahydrofuran-2-yl]methylamino]pyrimidin-2-yl]amino]propylammonium Formula: C12H22N7O3+ MolecularWeight: 312.34818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

Isomeric SMILES

C1C[C@H](OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

InChI

InChI=1S/C12H21N7O3/c13-4-2-5-15-12-17-10(14)9(19(20)21)11(18-12)16-7-8-3-1-6-22-8/h8H,1-7,13H2,(H4,14,15,16,17,18)/p+1/t8-/m0/s1