2-azanyl-1-[[3,4-bis(fluoranyl)phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one

Systemtic Name: 2-azanyl-1-[[3,4-bis(fluoranyl)phenyl]methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Openeye Name: 2-amino-1-[(3,4-difluorophenyl)methyl]-7-(2-naphthylmethyl)purin-6-one CAS Name: 2-amino-1-[(3,4-difluorophenyl)methyl]-7-(2-naphthalenylmethyl)-6-purinone IUPAC Name: 2-amino-1-[(3,4-difluorophenyl)methyl]-7-(naphthalen-2-ylmethyl)purin-6-one Traditional Name: 2-amino-1-(3,4-difluorobenzyl)-7-(2-naphthylmethyl)purin-6-one Formula: C23H17F2N5O MolecularWeight: 417.410786

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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=CC(=C(C=C5)F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H17F2N5O/c24-18-8-6-15(10-19(18)25)12-30-22(31)20-21(28-23(30)26)27-13-29(20)11-14-5-7-16-3-1-2-4-17(16)9-14/h1-10,13H,11-12H2,(H2,26,28)