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

Systemtic Name: 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(4-chlorophenyl)sulfonyl-3-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(4-chlorophenyl)sulfonyl-3-piperidyl]-3-(4-methylbenzyl)-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)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN6O3S/c1-15-4-6-16(7-5-15)13-30-22-20(27-28-30)23(31)26-21(25-22)17-3-2-12-29(14-17)34(32,33)19-10-8-18(24)9-11-19/h4-11,17,28H,2-3,12-14H2,1H3