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

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-[1-(phenylsulfonyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(benzenesulfonyl)-4-piperidyl]-3-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(benzenesulfonyl)-4-piperidinyl]-3-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(3-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1-besyl-4-piperidyl)-3-(3-chlorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C22H21ClN6O3S MolecularWeight: 484.95854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H21ClN6O3S/c23-17-6-4-5-15(13-17)14-29-21-19(26-27-29)22(30)25-20(24-21)16-9-11-28(12-10-16)33(31,32)18-7-2-1-3-8-18/h1-8,13,16,27H,9-12,14H2