(Z)-1-[2-azanyl-3-oxidanylidene-3-(7H-purin-6-yloxy)propoxy]-2-diazonio-ethenolate

Systemtic Name: (Z)-1-[2-azanyl-3-oxidanylidene-3-(7H-purin-6-yloxy)propoxy]-2-diazonio-ethenolate Openeye Name: (Z)-1-[2-amino-3-oxo-3-(7H-purin-6-yloxy)propoxy]-2-diazonio-ethenolate CAS Name: (Z)-1-[2-amino-3-oxo-3-(7H-purin-6-yloxy)propoxy]-2-diazonioethenolate IUPAC Name: (Z)-1-[2-amino-3-oxo-3-(7H-purin-6-yloxy)propoxy]-2-diazonioethenolate Traditional Name: (Z)-1-[2-amino-3-keto-3-(7H-purin-6-yloxy)propoxy]-2-diazonio-ethenolate Formula: C10H9N7O4 MolecularWeight: 291.22296

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)OC(=O)C(COC(=C[N+]#N)[O-])N

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)OC(=O)C(CO/C(=C\[N+]#N)/[O-])N

InChI

InChI=1S/C10H9N7O4/c11-5(2-20-6(18)1-17-12)10(19)21-9-7-8(14-3-13-7)15-4-16-9/h1,3-5H,2,11H2,(H-,13,14,15,16,18)/b6-1-