9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-benzyl-8-benzylsulfanyl-3H-purin-6-one CAS Name: 9-(phenylmethyl)-8-(phenylmethylthio)-3H-purin-6-one IUPAC Name: 9-benzyl-8-benzylsulfanyl-3H-purin-6-one Traditional Name: 9-benzyl-8-(benzylthio)-3H-purin-6-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS/c24-18-16-17(20-13-21-18)23(11-14-7-3-1-4-8-14)19(22-16)25-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,24)