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

Systemtic Name: 5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(2,2-dimethylpropanoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(2,2-dimethyl-1-oxopropyl)-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-(1-pivaloyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H26N6O2 MolecularWeight: 394.47014

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-21(2,3)20(29)26-11-7-10-15(13-26)17-22-18-16(19(28)23-17)24-25-27(18)12-14-8-5-4-6-9-14/h4-6,8-9,15,25H,7,10-13H2,1-3H3