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

Systemtic Name: 5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(5-acetyl-2-butoxy-3-pyridyl)-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(5-acetyl-2-butoxy-3-pyridinyl)-2-(1-ethyl-3-azetidinyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(5-acetyl-2-butoxypyridin-3-yl)-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(5-acetyl-2-butoxy-3-pyridyl)-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H26N6O3 MolecularWeight: 410.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-4-6-7-30-21-16(8-14(9-22-21)13(3)28)19-23-17-12-27(15-10-26(5-2)11-15)25-18(17)20(29)24-19/h8-9,12,15H,4-7,10-11H2,1-3H3,(H,23,24,29)