3-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]pyridin-2-olate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]pyridin-2-olate Openeye Name: 3-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]pyridin-2-olate CAS Name: 3-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]-2-pyridinolate IUPAC Name: 3-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]pyridin-2-olate Traditional Name: 3-[(2-amino-6-keto-3,7-dihydropurin-8-yl)methyl]pyridin-2-olate Formula: C11H9N6O2- MolecularWeight: 257.22816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)[O-])CC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=C(N=C1)[O-])CC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C11H10N6O2/c12-11-16-8-7(10(19)17-11)14-6(15-8)4-5-2-1-3-13-9(5)18/h1-3H,4H2,(H,13,18)(H4,12,14,15,16,17,19)/p-1