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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-[1-(2-phenylethanoyl)piperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(2-phenylacetyl)-3-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-methylphenyl)methyl]-5-[1-(1-oxo-2-phenylethyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-methylphenyl)methyl]-5-[1-(2-phenylacetyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-methylbenzyl)-5-[1-(2-phenylacetyl)-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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2/c1-17-9-11-19(12-10-17)15-31-24-22(28-29-31)25(33)27-23(26-24)20-8-5-13-30(16-20)21(32)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,29H,5,8,13-16H2,1H3