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

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(3-methylbutanoyl)piperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(3-methylbutanoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(3-methyl-1-oxobutyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(3-methylbutanoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,4-dichlorobenzyl)-5-(1-isovaleryl-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)CC(=O)N1CCCC(C1)C2=NC(=O)C3=NNN(C3=N2)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N6O2/c1-12(2)8-17(30)28-7-3-4-14(10-28)19-24-20-18(21(31)25-19)26-27-29(20)11-13-5-6-15(22)9-16(13)23/h5-6,9,12,14,27H,3-4,7-8,10-11H2,1-2H3