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

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-5-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-5-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2,5-dimethylphenyl)methyl]-5-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-5-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,5-dimethylbenzyl)-5-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C25H25F3N6O3S MolecularWeight: 546.56461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C25H25F3N6O3S/c1-15-7-8-16(2)18(13-15)14-34-23-21(31-32-34)24(35)30-22(29-23)17-9-11-33(12-10-17)38(36,37)20-6-4-3-5-19(20)25(26,27)28/h3-8,13,17,32H,9-12,14H2,1-2H3