1-phenyl-3-(5H-purin-6-ylsulfanyl)propan-1-one

Systemtic Name: 1-phenyl-3-(5H-purin-6-ylsulfanyl)propan-1-one Openeye Name: 1-phenyl-3-(5H-purin-6-ylsulfanyl)propan-1-one CAS Name: 1-phenyl-3-(5H-purin-6-ylthio)-1-propanone IUPAC Name: 1-phenyl-3-(5H-purin-6-ylsulfanyl)propan-1-one Traditional Name: 1-phenyl-3-(5H-purin-6-ylthio)propan-1-one Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCSC2=NC=NC3=NC=NC32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCSC2=NC=NC3=NC=NC32

InChI

InChI=1S/C14H12N4OS/c19-11(10-4-2-1-3-5-10)6-7-20-14-12-13(16-8-15-12)17-9-18-14/h1-5,8-9,12H,6-7H2