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

Systemtic Name: 6-azanyl-2-naphthalen-2-ylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2-naphthylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(2-naphthalenylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-naphthalen-2-ylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(2-naphthylthio)-7H-purin-8-one Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC5=CC=CC=C5C=C4)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC5=CC=CC=C5C=C4)N)NC2=O

InChI

InChI=1S/C22H17N5OS/c23-19-18-20(27(22(28)24-18)13-14-6-2-1-3-7-14)26-21(25-19)29-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H,24,28)(H2,23,25,26)