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

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3-chlorobenzyl)-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H23ClN6O5S MolecularWeight: 542.99462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=NC(=O)C5=NNN(C5=N4)CC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=NC(=O)C5=NNN(C5=N4)CC6=CC(=CC=C6)Cl

InChI

InChI=1S/C24H23ClN6O5S/c25-17-5-1-3-15(11-17)13-31-23-21(28-29-31)24(32)27-22(26-23)16-4-2-8-30(14-16)37(33,34)18-6-7-19-20(12-18)36-10-9-35-19/h1,3,5-7,11-12,16,29H,2,4,8-10,13-14H2