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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[1-(phenylmethyl)sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1-benzylsulfonyl-4-piperidyl)-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-(phenylmethyl)sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(1-benzylsulfonylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1-benzylsulfonyl-4-piperidyl)-3-(4-fluorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H23FN6O3S MolecularWeight: 482.530523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H23FN6O3S/c24-19-8-6-16(7-9-19)14-30-22-20(27-28-30)23(31)26-21(25-22)18-10-12-29(13-11-18)34(32,33)15-17-4-2-1-3-5-17/h1-9,18,28H,10-15H2