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1-(7H-purin-6-ylsulfanyl)propan-2-one

1-(7H-purin-6-ylsulfanyl)propan-2-one

Systemtic Name:1-(7H-purin-6-ylsulfanyl)propan-2-one
Openeye Name:1-(7H-purin-6-ylsulfanyl)propan-2-one
CAS Name:1-(7H-purin-6-ylthio)-2-propanone
IUPAC Name:1-(7H-purin-6-ylsulfanyl)propan-2-one
Traditional Name:1-(7H-purin-6-ylthio)acetone
Formula: C8H8N4OS
MolecularWeight: 208.24032
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=NC2=C1NC=N2


Isomeric SMILES

CC(=O)CSC1=NC=NC2=C1NC=N2


InChI

InChI=1S/C8H8N4OS/c1-5(13)2-14-8-6-7(10-3-9-6)11-4-12-8/h3-4H,2H2,1H3,(H,9,10,11,12)


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