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

Systemtic Name: 3-(phenylmethyl)-5-[1-(phenylmethyl)sulfonylpiperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-(1-benzylsulfonyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(phenylmethyl)-5-[1-(phenylmethyl)sulfonyl-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-(1-benzylsulfonylpiperidin-3-yl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-(1-benzylsulfonyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N6O3S/c30-23-20-22(29(27-26-20)14-17-8-3-1-4-9-17)24-21(25-23)19-12-7-13-28(15-19)33(31,32)16-18-10-5-2-6-11-18/h1-6,8-11,19,27H,7,12-16H2