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

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(3-chlorophenyl)methyl]-5-[1-(p-tolylsulfonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(3-chlorophenyl)methyl]-5-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3-chlorobenzyl)-5-(1-tosyl-4-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H23ClN6O3S MolecularWeight: 498.98512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H23ClN6O3S/c1-15-5-7-19(8-6-15)34(32,33)29-11-9-17(10-12-29)21-25-22-20(23(31)26-21)27-28-30(22)14-16-3-2-4-18(24)13-16/h2-8,13,17,28H,9-12,14H2,1H3