1-(7H-purin-8-ylsulfanyl)propan-2-one

Systemtic Name: 1-(7H-purin-8-ylsulfanyl)propan-2-one Openeye Name: 1-(7H-purin-8-ylsulfanyl)propan-2-one CAS Name: 1-(7H-purin-8-ylthio)-2-propanone IUPAC Name: 1-(7H-purin-8-ylsulfanyl)propan-2-one Traditional Name: 1-(7H-purin-8-ylthio)acetone Formula: C8H8N4OS MolecularWeight: 208.24032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=NC=NC=C2N1

Isomeric SMILES

CC(=O)CSC1=NC2=NC=NC=C2N1

InChI

InChI=1S/C8H8N4OS/c1-5(13)3-14-8-11-6-2-9-4-10-7(6)12-8/h2,4H,3H2,1H3,(H,9,10,11,12)