3-butyl-6-methylsulfanyl-7H-purin-2-one

Systemtic Name: 3-butyl-6-methylsulfanyl-7H-purin-2-one Openeye Name: 3-butyl-6-methylsulfanyl-7H-purin-2-one CAS Name: 3-butyl-6-(methylthio)-7H-purin-2-one IUPAC Name: 3-butyl-6-methylsulfanyl-7H-purin-2-one Traditional Name: 3-butyl-6-(methylthio)-7H-purin-2-one Formula: C10H14N4OS MolecularWeight: 238.30936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC1=O)SC)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=NC1=O)SC)NC=N2

InChI

InChI=1S/C10H14N4OS/c1-3-4-5-14-8-7(11-6-12-8)9(16-2)13-10(14)15/h6H,3-5H2,1-2H3,(H,11,12)