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

Systemtic Name: 6-azanyl-9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-butoxy-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[(2,6-difluorophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[(2,6-difluorophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[(2,6-difluorophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-(2,6-difluorobenzyl)-7H-purin-8-one Formula: C16H17F2N5O2 MolecularWeight: 349.335286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC=C3F)F

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC=C3F)F

InChI

InChI=1S/C16H17F2N5O2/c1-2-3-7-25-15-21-13(19)12-14(22-15)23(16(24)20-12)8-9-10(17)5-4-6-11(9)18/h4-6H,2-3,7-8H2,1H3,(H,20,24)(H2,19,21,22)