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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[1-(3-methylbutanoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-(3-methyl-1-oxobutyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-fluorobenzyl)-5-(1-isovaleryl-4-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H25FN6O2 MolecularWeight: 412.460603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN6O2/c1-13(2)11-17(29)27-9-7-15(8-10-27)19-23-20-18(21(30)24-19)25-26-28(20)12-14-3-5-16(22)6-4-14/h3-6,13,15,26H,7-12H2,1-2H3