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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O4/c1-16-6-8-17(9-7-16)14-32-24-22(29-30-32)25(33)28-23(27-24)19-5-4-12-31(15-19)26(34)18-10-11-20(35-2)21(13-18)36-3/h6-11,13,19,30H,4-5,12,14-15H2,1-3H3