6-azanyl-2-butoxy-9-[[3-[(4-fluoranylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[[3-[(4-fluoranylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[3-[(4-fluoro-1-piperidyl)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[3-[(4-fluoro-1-piperidinyl)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[(4-fluoropiperidino)methyl]benzyl]-7H-purin-8-one Formula: C22H29FN6O2 MolecularWeight: 428.503063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC(CC4)F

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC(CC4)F

InChI

InChI=1S/C22H29FN6O2/c1-2-3-11-31-21-26-19(24)18-20(27-21)29(22(30)25-18)14-16-6-4-5-15(12-16)13-28-9-7-17(23)8-10-28/h4-6,12,17H,2-3,7-11,13-14H2,1H3,(H,25,30)(H2,24,26,27)