5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-2-(1-methylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-2-(1-methylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-methylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-methyl-3-azetidinyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(5-acetyl-2-butoxypyridin-3-yl)-3-ethyl-2-(1-methylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-2-(1-methylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C)C(=O)C

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C)C(=O)C

InChI

InChI=1S/C22H28N6O3/c1-5-7-8-31-22-16(9-14(10-23-22)13(3)29)20-24-18-17(6-2)28(15-11-27(4)12-15)26-19(18)21(30)25-20/h9-10,15H,5-8,11-12H2,1-4H3,(H,24,25,30)