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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSC2=NC=NC3=C2NC=N3)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSC2=NC=NC3=C2NC=N3)O)O

InChI

InChI=1S/C13H10N4O3S/c18-8-2-1-7(3-9(8)19)10(20)4-21-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6,18-19H,4H2,(H,14,15,16,17)