3-[(6-aminopurin-9-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isoquinolin-1-one

Systemtic Name: 3-[(6-aminopurin-9-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isoquinolin-1-one Openeye Name: 3-[(6-aminopurin-9-yl)methyl]-2-(2-fluorophenyl)-8-methyl-isoquinolin-1-one CAS Name: 3-[(6-aminopurin-9-yl)methyl]-2-(2-fluorophenyl)-8-methyl-1-isoquinolinone IUPAC Name: 3-[(6-aminopurin-9-yl)methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one Traditional Name: 3-(adenin-9-ylmethyl)-2-(2-fluorophenyl)-8-methyl-isocarbostyril Formula: C22H17FN6O MolecularWeight: 400.408383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C(=C2)CN3C=NC4=C3N=CN=C4N)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C(=C2)CN3C=NC4=C3N=CN=C4N)C5=CC=CC=C5F

InChI

InChI=1S/C22H17FN6O/c1-13-5-4-6-14-9-15(10-28-12-27-19-20(24)25-11-26-21(19)28)29(22(30)18(13)14)17-8-3-2-7-16(17)23/h2-9,11-12H,10H2,1H3,(H2,24,25,26)