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

Systemtic Name: 5-[1-(4-tert-butylphenyl)carbonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(4-tert-butylbenzoyl)-3-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(4-tert-butylphenyl)-oxomethyl]-3-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(4-tert-butylbenzoyl)piperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(4-tert-butylbenzoyl)-3-piperidyl]-3-(4-methylbenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C28H32N6O2 MolecularWeight: 484.59268

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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=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H32N6O2/c1-18-7-9-19(10-8-18)16-34-25-23(31-32-34)26(35)30-24(29-25)21-6-5-15-33(17-21)27(36)20-11-13-22(14-12-20)28(2,3)4/h7-14,21,32H,5-6,15-17H2,1-4H3