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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-(3-methylphenyl)carbonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-(3-methylbenzoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-[(3-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-5-[1-(3-methylbenzoyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-tert-butylbenzyl)-5-(1-m-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=CC(=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=CC(=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/c1-18-6-5-7-21(16-18)27(36)33-14-12-20(13-15-33)24-29-25-23(26(35)30-24)31-32-34(25)17-19-8-10-22(11-9-19)28(2,3)4/h5-11,16,20,32H,12-15,17H2,1-4H3