7-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(cyclopropylamino)-9-(2-fluorophenyl)purin-8-one

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(cyclopropylamino)-9-(2-fluorophenyl)purin-8-one Openeye Name: 2-(cyclopropylamino)-7-[(2,6-difluorophenyl)methyl]-9-(2-fluorophenyl)purin-8-one CAS Name: 2-(cyclopropylamino)-7-[(2,6-difluorophenyl)methyl]-9-(2-fluorophenyl)-8-purinone IUPAC Name: 2-(cyclopropylamino)-7-[(2,6-difluorophenyl)methyl]-9-(2-fluorophenyl)purin-8-one Traditional Name: 2-(cyclopropylamino)-7-(2,6-difluorobenzyl)-9-(2-fluorophenyl)purin-8-one Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=C3C(=N2)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5F

Isomeric SMILES

C1CC1NC2=NC=C3C(=N2)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5F

InChI

InChI=1S/C21H16F3N5O/c22-14-5-3-6-15(23)13(14)11-28-18-10-25-20(26-12-8-9-12)27-19(18)29(21(28)30)17-7-2-1-4-16(17)24/h1-7,10,12H,8-9,11H2,(H,25,26,27)