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

Systemtic Name: 2-(azetidin-3-yl)-5-(2-butoxy-5-ethanoyl-phenyl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(5-acetyl-2-butoxy-phenyl)-2-(azetidin-3-yl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(5-acetyl-2-butoxyphenyl)-2-(3-azetidinyl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(5-acetyl-2-butoxyphenyl)-2-(azetidin-3-yl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(5-acetyl-2-butoxy-phenyl)-2-(azetidin-3-yl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CNC4

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CNC4

InChI

InChI=1S/C22H27N5O3/c1-4-6-9-30-18-8-7-14(13(3)28)10-16(18)21-24-19-17(5-2)27(15-11-23-12-15)26-20(19)22(29)25-21/h7-8,10,15,23H,4-6,9,11-12H2,1-3H3,(H,24,25,29)