1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanol

Systemtic Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanol Openeye Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanol CAS Name: 1-phenyl-2-(7H-purin-6-ylthio)ethanol IUPAC Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanol Traditional Name: 1-phenyl-2-(7H-purin-6-ylthio)ethanol Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS/c18-10(9-4-2-1-3-5-9)6-19-13-11-12(15-7-14-11)16-8-17-13/h1-5,7-8,10,18H,6H2,(H,14,15,16,17)