4-(7H-purin-6-ylsulfanyl)benzoic acid

Systemtic Name: 4-(7H-purin-6-ylsulfanyl)benzoic acid Openeye Name: 4-(7H-purin-6-ylsulfanyl)benzoic acid CAS Name: 4-(7H-purin-6-ylthio)benzoic acid IUPAC Name: 4-(7H-purin-6-ylsulfanyl)benzoic acid Traditional Name: 4-(7H-purin-6-ylthio)benzoic acid Formula: C12H8N4O2S MolecularWeight: 272.28252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=NC=NC3=C2NC=N3

InChI

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