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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-(4-methylphenyl)carbonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-(4-methylbenzoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-tert-butylbenzyl)-5-(1-p-toluoyl-4-piperidyl)-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)C(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C28H32N6O2/c1-18-5-9-21(10-6-18)27(36)33-15-13-20(14-16-33)24-29-25-23(26(35)30-24)31-32-34(25)17-19-7-11-22(12-8-19)28(2,3)4/h5-12,20,32H,13-17H2,1-4H3