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

Systemtic Name: 5-(1-butanoylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1-butanoyl-4-piperidyl)-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-(1-oxobutyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(1-butanoylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1-butyryl-4-piperidyl)-3-(4-fluorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C20H23FN6O2 MolecularWeight: 398.434023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN6O2/c1-2-3-16(28)26-10-8-14(9-11-26)18-22-19-17(20(29)23-18)24-25-27(19)12-13-4-6-15(21)7-5-13/h4-7,14,25H,2-3,8-12H2,1H3