tert-butyl 4-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate CAS Name: 4-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridinyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethyl-5-(5-iodo-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33IN6O4 MolecularWeight: 608.47179

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)C(=O)OC(C)(C)C)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C25H33IN6O4/c1-6-12-35-23-17(13-15(26)14-27-23)21-28-19-18(7-2)32(30-20(19)22(33)29-21)16-8-10-31(11-9-16)24(34)36-25(3,4)5/h13-14,16H,6-12H2,1-5H3,(H,28,29,33)