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

Systemtic Name: 6-azanyl-9-[[3-[(4-fluoranylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Openeye Name: 6-amino-9-[[3-[(4-fluoro-1-piperidyl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one CAS Name: 6-amino-9-[[3-[(4-fluoro-1-piperidinyl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one IUPAC Name: 6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Traditional Name: 6-amino-9-[3-[(4-fluoropiperidino)methyl]benzyl]-2-(2-methoxyethoxy)-7H-purin-8-one Formula: C21H27FN6O3 MolecularWeight: 430.475883

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC(CC4)F

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC(CC4)F

InChI

InChI=1S/C21H27FN6O3/c1-30-9-10-31-20-25-18(23)17-19(26-20)28(21(29)24-17)13-15-4-2-3-14(11-15)12-27-7-5-16(22)6-8-27/h2-4,11,16H,5-10,12-13H2,1H3,(H,24,29)(H2,23,25,26)