5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-3-(4-fluorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H23FN6O5S MolecularWeight: 526.540023

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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)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C24H23FN6O5S/c25-17-3-1-15(2-4-17)14-31-23-21(28-29-31)24(32)27-22(26-23)16-7-9-30(10-8-16)37(33,34)18-5-6-19-20(13-18)36-12-11-35-19/h1-6,13,16,29H,7-12,14H2