6-azanyl-9-(phenylmethyl)-2-(phenylmethylsulfanyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-(phenylmethylsulfanyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-benzylsulfanyl-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-(phenylmethylthio)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-benzylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(benzylthio)-7H-purin-8-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N)NC2=O

InChI

InChI=1S/C19H17N5OS/c20-16-15-17(23-18(22-16)26-12-14-9-5-2-6-10-14)24(19(25)21-15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,21,25)(H2,20,22,23)