3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-(5-iodo-2-propoxy-3-pyridinyl)-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-(5-iodo-2-propoxypyridin-3-yl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H21IN6O2 MolecularWeight: 516.33491

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=CC=CC=N4)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=CC=CC=N4)I

InChI

InChI=1S/C21H21IN6O2/c1-3-9-30-21-15(10-13(22)11-24-21)19-25-17-16(4-2)28(27-18(17)20(29)26-19)12-14-7-5-6-8-23-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,25,26,29)