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

Systemtic Name: 5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(3-chlorophenyl)sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(3-chlorophenyl)sulfonyl-4-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(3-chlorophenyl)sulfonyl-4-piperidyl]-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)S(=O)(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

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