2-azanyl-1-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one

Systemtic Name: 2-azanyl-1-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-1-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-1-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-1-(2,1,3-benzoxadiazol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-1-(benzofurazan-5-ylmethyl)-7-(2-naphthylmethyl)purin-6-one Formula: C23H17N7O2 MolecularWeight: 423.42678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N(C(=N4)N)CC5=CC6=NON=C6C=C5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N(C(=N4)N)CC5=CC6=NON=C6C=C5

InChI

InChI=1S/C23H17N7O2/c24-23-26-21-20(22(31)30(23)12-15-6-8-18-19(10-15)28-32-27-18)29(13-25-21)11-14-5-7-16-3-1-2-4-17(16)9-14/h1-10,13H,11-12H2,(H2,24,26)