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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-(1-thiophen-2-ylcarbonylpiperidin-4-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-fluorobenzyl)-5-[1-(2-thenoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H19FN6O2S MolecularWeight: 438.477963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C21H19FN6O2S/c22-15-5-3-13(4-6-15)12-28-19-17(25-26-28)20(29)24-18(23-19)14-7-9-27(10-8-14)21(30)16-2-1-11-31-16/h1-6,11,14,26H,7-10,12H2