N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-oxidanyl-quinoline-7-carboxamide

Systemtic Name: N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-oxidanyl-quinoline-7-carboxamide Openeye Name: N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxy-quinoline-7-carboxamide CAS Name: N-[9-[(4-fluorophenyl)methyl]-6-purinyl]-8-hydroxy-7-quinolinecarboxamide IUPAC Name: N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide Traditional Name: N-[9-(4-fluorobenzyl)purin-6-yl]-8-hydroxy-quinoline-7-carboxamide Formula: C22H15FN6O2 MolecularWeight: 414.391903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2)C(=O)NC3=NC=NC4=C3N=CN4CC5=CC=C(C=C5)F)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2)C(=O)NC3=NC=NC4=C3N=CN4CC5=CC=C(C=C5)F)O)N=C1

InChI

InChI=1S/C22H15FN6O2/c23-15-6-3-13(4-7-15)10-29-12-27-18-20(25-11-26-21(18)29)28-22(31)16-8-5-14-2-1-9-24-17(14)19(16)30/h1-9,11-12,30H,10H2,(H,25,26,28,31)