5-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(3,3-dimethyl-1-oxobutyl)-4-piperidinyl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-3-(4-fluorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C22H27FN6O2 MolecularWeight: 426.487183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCC(CC1)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC(CC1)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN6O2/c1-22(2,3)12-17(30)28-10-8-15(9-11-28)19-24-20-18(21(31)25-19)26-27-29(20)13-14-4-6-16(23)7-5-14/h4-7,15,27H,8-13H2,1-3H3