5-[1-(2,6-dimethoxyphenyl)carbonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-(2,6-dimethoxyphenyl)carbonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(2,6-dimethoxybenzoyl)-3-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(2,6-dimethoxyphenyl)-oxomethyl]-3-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(2,6-dimethoxybenzoyl)piperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(2,6-dimethoxybenzoyl)-3-piperidyl]-3-(4-methylbenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C26H28N6O4 MolecularWeight: 488.53832

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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=C(C=CC=C5OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=C(C=CC=C5OC)OC

InChI

InChI=1S/C26H28N6O4/c1-16-9-11-17(12-10-16)14-32-24-22(29-30-32)25(33)28-23(27-24)18-6-5-13-31(15-18)26(34)21-19(35-2)7-4-8-20(21)36-3/h4,7-12,18,30H,5-6,13-15H2,1-3H3