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

Systemtic Name: 5-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidyl]-3-(4-methylbenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C25H28N6O3S/c1-16-5-8-19(9-6-16)15-31-24-22(28-29-31)25(32)27-23(26-24)20-10-12-30(13-11-20)35(33,34)21-14-17(2)4-7-18(21)3/h4-9,14,20,29H,10-13,15H2,1-3H3