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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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