3-[[4-azanyl-6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-2-yl]amino]propylazanium

Systemtic Name: 3-[[4-azanyl-6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-2-yl]amino]propylazanium Openeye Name: 3-[[4-amino-6-(2-furylmethylamino)-5-nitro-pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-6-(2-furanylmethylamino)-5-nitro-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[4-amino-6-(furan-2-ylmethylamino)-5-nitropyrimidin-2-yl]amino]propylazanium Traditional Name: 3-[[4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]amino]propylammonium Formula: C12H18N7O3+ MolecularWeight: 308.31642

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

InChI

InChI=1S/C12H17N7O3/c13-4-2-5-15-12-17-10(14)9(19(20)21)11(18-12)16-7-8-3-1-6-22-8/h1,3,6H,2,4-5,7,13H2,(H4,14,15,16,17,18)/p+1