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

Systemtic Name: 5-(1-butanoylpiperidin-3-yl)-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-(1-butanoyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(1-oxobutyl)-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-(1-butanoylpiperidin-3-yl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-(1-butyryl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2/c1-2-7-16(27)25-11-6-10-15(13-25)18-21-19-17(20(28)22-18)23-24-26(19)12-14-8-4-3-5-9-14/h3-5,8-9,15,24H,2,6-7,10-13H2,1H3