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

Systemtic Name: 2-phenyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-benzyl-8-benzylsulfanyl-2-phenyl-3H-purin-6-one CAS Name: 2-phenyl-9-(phenylmethyl)-8-(phenylmethylthio)-3H-purin-6-one IUPAC Name: 9-benzyl-8-benzylsulfanyl-2-phenyl-3H-purin-6-one Traditional Name: 9-benzyl-8-(benzylthio)-2-phenyl-3H-purin-6-one Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)C4=CC=CC=C4)N=C2SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)C4=CC=CC=C4)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C25H20N4OS/c30-24-21-23(27-22(28-24)20-14-8-3-9-15-20)29(16-18-10-4-1-5-11-18)25(26-21)31-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,27,28,30)