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

Systemtic Name: 5-[1-(3-methylphenyl)carbonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(3-methylbenzoyl)-3-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-methylphenyl)methyl]-5-[1-[(3-methylphenyl)-oxomethyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(3-methylbenzoyl)piperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-methylbenzyl)-5-(1-m-toluoyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O2/c1-16-8-10-18(11-9-16)14-31-23-21(28-29-31)24(32)27-22(26-23)20-7-4-12-30(15-20)25(33)19-6-3-5-17(2)13-19/h3,5-6,8-11,13,20,29H,4,7,12,14-15H2,1-2H3