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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

InChI

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