1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol

Systemtic Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol Openeye Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol CAS Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylthio)ethanol IUPAC Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol Traditional Name: 1-(4-bromophenyl)-2-(7H-purin-6-ylthio)ethanol Formula: C13H11BrN4OS MolecularWeight: 351.22164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7,10,19H,5H2,(H,15,16,17,18)