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

Systemtic Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H24N6O5S MolecularWeight: 508.54956

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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=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C24H24N6O5S/c31-24-21-23(30(28-27-21)15-16-4-2-1-3-5-16)25-22(26-24)17-8-10-29(11-9-17)36(32,33)18-6-7-19-20(14-18)35-13-12-34-19/h1-7,14,17,28H,8-13,15H2