(E)-2-diazonio-1-pyridin-3-yl-ethenolate; 7H-purin-6-amine

Systemtic Name: (E)-2-diazonio-1-pyridin-3-yl-ethenolate; 7H-purin-6-amine Openeye Name: (E)-2-diazonio-1-(3-pyridyl)ethenolate; 7H-purin-6-amine CAS Name: (E)-2-diazonio-1-(3-pyridinyl)ethenolate; 7H-purin-6-amine IUPAC Name: (E)-2-diazonio-1-pyridin-3-ylethenolate; 7H-purin-6-amine Traditional Name: 7H-adenine; (E)-2-diazonio-1-(3-pyridyl)ethenolate Formula: C12H10N8O MolecularWeight: 282.2608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5N3O.C5H5N5/c8-10-5-7(11)6-2-1-3-9-4-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-5H;1-2H,(H3,6,7,8,9,10)/b7-5+;