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2-(5H-purin-6-ylsulfanyl)benzoic acid

2-(5H-purin-6-ylsulfanyl)benzoic acid

Systemtic Name:2-(5H-purin-6-ylsulfanyl)benzoic acid
Openeye Name:2-(5H-purin-6-ylsulfanyl)benzoic acid
CAS Name:2-(5H-purin-6-ylthio)benzoic acid
IUPAC Name:2-(5H-purin-6-ylsulfanyl)benzoic acid
Traditional Name:2-(5H-purin-6-ylthio)benzoic acid
Formula: C12H8N4O2S
MolecularWeight: 272.28252
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=NC=NC3=NC=NC32


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=NC=NC3=NC=NC32


InChI

InChI=1S/C12H8N4O2S/c17-12(18)7-3-1-2-4-8(7)19-11-9-10(14-5-13-9)15-6-16-11/h1-6,9H,(H,17,18)


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