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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[1-[(E)-styryl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-fluorobenzyl)-5-[1-[(E)-styryl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H23FN6O3S MolecularWeight: 494.541223

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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)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN6O3S/c25-20-8-6-18(7-9-20)16-31-23-21(28-29-31)24(32)27-22(26-23)19-10-13-30(14-11-19)35(33,34)15-12-17-4-2-1-3-5-17/h1-9,12,15,19,29H,10-11,13-14,16H2/b15-12+