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

Systemtic Name: 2-azanyl-3-[[3,4-bis(oxidanyl)phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-3-[(3,4-dihydroxyphenyl)methyl]-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-3-[(3,4-dihydroxyphenyl)methyl]-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-3-[(3,4-dihydroxyphenyl)methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-7-(2-naphthylmethyl)-3-protocatechuyl-purin-6-one Formula: C23H19N5O3 MolecularWeight: 413.42866

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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)O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3/c24-23-26-22(31)20-21(28(23)12-15-6-8-18(29)19(30)10-15)25-13-27(20)11-14-5-7-16-3-1-2-4-17(16)9-14/h1-10,13,29-30H,11-12H2,(H2,24,26,31)