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

Systemtic Name: 2-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid CAS Name: 2-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridinyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid IUPAC Name: 2-[3-ethyl-5-(5-iodo-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid Traditional Name: 2-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid Formula: C17H18IN5O4 MolecularWeight: 483.26039

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3CC(=O)O)CC)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3CC(=O)O)CC)I

InChI

InChI=1S/C17H18IN5O4/c1-3-5-27-17-10(6-9(18)7-19-17)15-20-13-11(4-2)22-23(8-12(24)25)14(13)16(26)21-15/h6-7H,3-5,8H2,1-2H3,(H,24,25)(H,20,21,26)