3-[(4-methylphenyl)methyl]-5-(1-propylsulfonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(1-propylsulfonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1-propylsulfonyl-3-piperidyl)-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-methylphenyl)methyl]-5-(1-propylsulfonyl-3-piperidinyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(1-propylsulfonylpiperidin-3-yl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-methylbenzyl)-5-(1-propylsulfonyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3S/c1-3-11-30(28,29)25-10-4-5-16(13-25)18-21-19-17(20(27)22-18)23-24-26(19)12-15-8-6-14(2)7-9-15/h6-9,16,24H,3-5,10-13H2,1-2H3