3-(phenylmethylsulfanyl)-2,7-dihydro-1H-purin-6-one

Systemtic Name: 3-(phenylmethylsulfanyl)-2,7-dihydro-1H-purin-6-one Openeye Name: 3-benzylsulfanyl-2,7-dihydro-1H-purin-6-one CAS Name: 3-(phenylmethylthio)-2,7-dihydro-1H-purin-6-one IUPAC Name: 3-benzylsulfanyl-2,7-dihydro-1H-purin-6-one Traditional Name: 3-(benzylthio)-2,7-dihydro-1H-purin-6-one Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=O)C2=C(N1SCC3=CC=CC=C3)N=CN2

Isomeric SMILES

C1NC(=O)C2=C(N1SCC3=CC=CC=C3)N=CN2

InChI

InChI=1S/C12H12N4OS/c17-12-10-11(14-7-13-10)16(8-15-12)18-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,13,14)(H,15,17)