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

Systemtic Name: N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-oxidanyl-quinoline-7-carboxamide Openeye Name: N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxy-quinoline-7-carboxamide CAS Name: N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]-8-purinyl]-8-hydroxy-7-quinolinecarboxamide IUPAC Name: N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide Traditional Name: N-[6-(dimethylamino)-9-(4-fluorobenzyl)purin-8-yl]-8-hydroxy-quinoline-7-carboxamide Formula: C24H20FN7O2 MolecularWeight: 457.459703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=C(N2CC3=CC=C(C=C3)F)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=C(N2CC3=CC=C(C=C3)F)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O

InChI

InChI=1S/C24H20FN7O2/c1-31(2)21-19-22(28-13-27-21)32(12-14-5-8-16(25)9-6-14)24(29-19)30-23(34)17-10-7-15-4-3-11-26-18(15)20(17)33/h3-11,13,33H,12H2,1-2H3,(H,29,30,34)