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

Systemtic Name: 3-[[4-azanyl-6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(2-furylmethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(2-furanylmethylamino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(furan-2-ylmethylamino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C14H22N7O3+ MolecularWeight: 336.36958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

InChI

InChI=1S/C14H21N7O3/c1-20(2)7-4-6-16-14-18-12(15)11(21(22)23)13(19-14)17-9-10-5-3-8-24-10/h3,5,8H,4,6-7,9H2,1-2H3,(H4,15,16,17,18,19)/p+1