3-[(3-chlorophenyl)methyl]-5-(1-cyclobutylcarbonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-(1-cyclobutylcarbonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(3-chlorophenyl)methyl]-5-[1-(cyclobutanecarbonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(3-chlorophenyl)methyl]-5-[1-[cyclobutyl(oxo)methyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[1-(cyclobutanecarbonyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3-chlorobenzyl)-5-[1-(cyclobutanecarbonyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC(C1)C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H23ClN6O2/c22-16-8-1-4-13(10-16)11-28-19-17(25-26-28)20(29)24-18(23-19)15-7-3-9-27(12-15)21(30)14-5-2-6-14/h1,4,8,10,14-15,26H,2-3,5-7,9,11-12H2