2-azanyl-7-(naphthalen-2-ylmethyl)-3-[[4-[oxidanidyl(oxidanyl)amino]phenyl]methyl]purin-6-one

Systemtic Name: 2-azanyl-7-(naphthalen-2-ylmethyl)-3-[[4-[oxidanidyl(oxidanyl)amino]phenyl]methyl]purin-6-one Openeye Name: 2-amino-3-[[4-[hydroxy(oxido)amino]phenyl]methyl]-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-3-[[4-[hydroxy(oxido)amino]phenyl]methyl]-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-3-[[4-[hydroxy(oxido)amino]phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-3-[4-[hydroxy(oxido)amino]benzyl]-7-(2-naphthylmethyl)purin-6-one Formula: C23H19N6O3- MolecularWeight: 427.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)N(O)[O-])N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)N(O)[O-])N

InChI

InChI=1S/C23H19N6O3/c24-23-26-22(30)20-21(28(23)13-15-6-9-19(10-7-15)29(31)32)25-14-27(20)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11,14,31H,12-13H2,(H2,24,26,30)/q-1