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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-(1-cyclobutylcarbonylpiperidin-4-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2-chlorophenyl)methyl]-5-[1-(cyclobutanecarbonyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2-chlorophenyl)methyl]-5-[1-[cyclobutyl(oxo)methyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2-chlorobenzyl)-5-[1-(cyclobutanecarbonyl)-4-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)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CC(C1)C(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl

InChI

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