6-azanyl-9-[[2,5-bis(fluoranyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[2,5-bis(fluoranyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-9-[(2,5-difluorophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-9-[(2,5-difluorophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-9-[(2,5-difluorophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-9-(2,5-difluorobenzyl)-7H-purin-8-one Formula: C12H9F2N5O MolecularWeight: 277.229566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)CN2C3=C(C(=NC=N3)N)NC2=O)F

Isomeric SMILES

C1=CC(=C(C=C1F)CN2C3=C(C(=NC=N3)N)NC2=O)F

InChI

InChI=1S/C12H9F2N5O/c13-7-1-2-8(14)6(3-7)4-19-11-9(18-12(19)20)10(15)16-5-17-11/h1-3,5H,4H2,(H,18,20)(H2,15,16,17)