N-[6-azanyl-3-[(4-fluorophenyl)methyl]purin-8-yl]-8-oxidanyl-quinoline-7-carboxamide

Systemtic Name: N-[6-azanyl-3-[(4-fluorophenyl)methyl]purin-8-yl]-8-oxidanyl-quinoline-7-carboxamide Openeye Name: N-[6-amino-3-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxy-quinoline-7-carboxamide CAS Name: N-[6-amino-3-[(4-fluorophenyl)methyl]-8-purinyl]-8-hydroxy-7-quinolinecarboxamide IUPAC Name: N-[6-amino-3-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide Traditional Name: N-[6-amino-3-(4-fluorobenzyl)purin-8-yl]-8-hydroxy-quinoline-7-carboxamide Formula: C22H16FN7O2 MolecularWeight: 429.406543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2)C(=O)NC3=NC4=C(N=CN(C4=N3)CC5=CC=C(C=C5)F)N)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2)C(=O)NC3=NC4=C(N=CN(C4=N3)CC5=CC=C(C=C5)F)N)O)N=C1

InChI

InChI=1S/C22H16FN7O2/c23-14-6-3-12(4-7-14)10-30-11-26-19(24)17-20(30)28-22(27-17)29-21(32)15-8-5-13-2-1-9-25-16(13)18(15)31/h1-9,11,31H,10,24H2,(H,27,29,32)