3-[(2,4-dichlorophenyl)methyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2,2-dimethylpropanoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2,2-dimethyl-1-oxopropyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,4-dichlorobenzyl)-5-(1-pivaloyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H24Cl2N6O2 MolecularWeight: 463.36026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCC(C1)C2=NC(=O)C3=NNN(C3=N2)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCCC(C1)C2=NC(=O)C3=NNN(C3=N2)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H24Cl2N6O2/c1-21(2,3)20(31)28-8-4-5-13(10-28)17-24-18-16(19(30)25-17)26-27-29(18)11-12-6-7-14(22)9-15(12)23/h6-7,9,13,27H,4-5,8,10-11H2,1-3H3