2-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridinyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-ethyl-5-(5-iodo-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidin-1-yl]-3,3-dimethyl-butyric acid Formula: C21H26IN5O4 MolecularWeight: 539.36671

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3C(C(=O)O)C(C)(C)C)CC)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3C(C(=O)O)C(C)(C)C)CC)I

InChI

InChI=1S/C21H26IN5O4/c1-6-8-31-19-12(9-11(22)10-23-19)17-24-14-13(7-2)26-27(15(14)18(28)25-17)16(20(29)30)21(3,4)5/h9-10,16H,6-8H2,1-5H3,(H,29,30)(H,24,25,28)