4-[5-(5-ethanoyl-2-propoxy-phenyl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]butanoic acid

Systemtic Name: 4-[5-(5-ethanoyl-2-propoxy-phenyl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]butanoic acid Openeye Name: 4-[5-(5-acetyl-2-propoxy-phenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]butanoic acid CAS Name: 4-[5-(5-acetyl-2-propoxyphenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]butanoic acid IUPAC Name: 4-[5-(5-acetyl-2-propoxyphenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]butanoic acid Traditional Name: 4-[5-(5-acetyl-2-propoxy-phenyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]butyric acid Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)CCCC(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)CCCC(=O)O

InChI

InChI=1S/C22H26N4O5/c1-4-11-31-17-9-8-14(13(3)27)12-15(17)21-23-19-16(5-2)26(10-6-7-18(28)29)25-20(19)22(30)24-21/h8-9,12H,4-7,10-11H2,1-3H3,(H,28,29)(H,23,24,30)