(Z)-2-diazonio-1-(pyridin-3-ylmethoxy)ethenolate; 7H-purin-6-amine

Systemtic Name: (Z)-2-diazonio-1-(pyridin-3-ylmethoxy)ethenolate; 7H-purin-6-amine Openeye Name: (Z)-2-diazonio-1-(3-pyridylmethoxy)ethenolate; 7H-purin-6-amine CAS Name: (Z)-2-diazonio-1-(3-pyridinylmethoxy)ethenolate; 7H-purin-6-amine IUPAC Name: (Z)-2-diazonio-1-(pyridin-3-ylmethoxy)ethenolate; 7H-purin-6-amine Traditional Name: 7H-adenine; (Z)-2-diazonio-1-(3-pyridylmethoxy)ethenolate Formula: C13H12N8O2 MolecularWeight: 312.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O2.C5H5N5/c9-11-5-8(12)13-6-7-2-1-3-10-4-7;6-4-3-5(9-1-7-3)10-2-8-4/h1-5H,6H2;1-2H,(H3,6,7,8,9,10)/b8-5-;