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

Systemtic Name: 5-(1-methylsulfonylpiperidin-3-yl)-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-(1-methylsulfonyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1-methylsulfonyl-3-piperidinyl)-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-(1-methylsulfonylpiperidin-3-yl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-(1-mesyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4

InChI

InChI=1S/C17H20N6O3S/c1-27(25,26)22-9-5-8-13(11-22)15-18-16-14(17(24)19-15)20-21-23(16)10-12-6-3-2-4-7-12/h2-4,6-7,13,21H,5,8-11H2,1H3