5-ethyl-3-(2-phenylmethoxy-3-piperidin-1-yl-propyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-ethyl-3-(2-phenylmethoxy-3-piperidin-1-yl-propyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[2-benzyloxy-3-(1-piperidyl)propyl]-5-ethyl-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-ethyl-3-[2-phenylmethoxy-3-(1-piperidinyl)propyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-ethyl-3-(2-phenylmethoxy-3-piperidin-1-ylpropyl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2-benzoxy-3-piperidino-propyl)-5-ethyl-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=NNN(C2=N1)CC(CN3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=O)C2=NNN(C2=N1)CC(CN3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c1-2-18-22-20-19(21(28)23-18)24-25-27(20)14-17(13-26-11-7-4-8-12-26)29-15-16-9-5-3-6-10-16/h3,5-6,9-10,17,25H,2,4,7-8,11-15H2,1H3