2-azaniumyl-6-(7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)hexanoate

Systemtic Name: 2-azaniumyl-6-(7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)hexanoate Openeye Name: 2-azaniumyl-6-(7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)hexanoate CAS Name: 2-ammonio-6-(7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)hexanoate IUPAC Name: 2-azaniumyl-6-(7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)hexanoate Traditional Name: 2-ammonio-6-(7-keto-2H-triazolo[4,5-d]pyrimidin-3-yl)hexanoate Formula: C10H14N6O3 MolecularWeight: 266.25656

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=NNN(C2=N1)CCCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=NC(=O)C2=NNN(C2=N1)CCCCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H14N6O3/c11-6(10(18)19)3-1-2-4-16-8-7(14-15-16)9(17)13-5-12-8/h5-6,15H,1-4,11H2,(H,18,19)