S-(7H-purin-8-yl) propanethioate

Systemtic Name: S-(7H-purin-8-yl) propanethioate Openeye Name: S-(7H-purin-8-yl) propanethioate CAS Name: propanethioic acid S-(7H-purin-8-yl) ester IUPAC Name: S-(7H-purin-8-yl) propanethioate Traditional Name: propanethioic acid S-(7H-purin-8-yl) ester Formula: C8H8N4OS MolecularWeight: 208.24032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC1=NC2=NC=NC=C2N1

Isomeric SMILES

CCC(=O)SC1=NC2=NC=NC=C2N1

InChI

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