4-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylic acid

Systemtic Name: 4-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylic acid Openeye Name: 4-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-oxo-4,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylic acid CAS Name: 4-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridinyl)-7-oxo-4,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinecarboxylic acid IUPAC Name: 4-[3-ethyl-5-(5-iodo-2-propoxypyridin-3-yl)-7-oxo-4,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylic acid Traditional Name: 4-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-keto-4,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]nicotinic acid Formula: C21H21IN6O4 MolecularWeight: 548.33371

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2(NC3=C(NN=C3C(=O)N2)CC)C4=C(C=NC=C4)C(=O)O)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C2(NC3=C(NN=C3C(=O)N2)CC)C4=C(C=NC=C4)C(=O)O)I

InChI

InChI=1S/C21H21IN6O4/c1-3-7-32-19-14(8-11(22)9-24-19)21(13-5-6-23-10-12(13)20(30)31)25-16-15(4-2)27-28-17(16)18(29)26-21/h5-6,8-10,25H,3-4,7H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)