1-[3,4-bis(oxidanyl)phenyl]-2-(7H-purin-6-yl)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(7H-purin-6-yl)ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-yl)ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-yl)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-yl)ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-yl)ethanone Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CC2=C3C(=NC=N2)N=CN3)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CC2=C3C(=NC=N2)N=CN3)O)O

InChI

InChI=1S/C13H10N4O3/c18-9-2-1-7(3-11(9)20)10(19)4-8-12-13(16-5-14-8)17-6-15-12/h1-3,5-6,18,20H,4H2,(H,14,15,16,17)