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

Systemtic Name: tert-butyl 3-[5-(2-butoxy-5-iodanyl-pyridin-3-yl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[5-(2-butoxy-5-iodo-3-pyridyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate CAS Name: 3-[5-(2-butoxy-5-iodo-3-pyridinyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(2-butoxy-5-iodopyridin-3-yl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Traditional Name: 3-[5-(2-butoxy-5-iodo-3-pyridyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H35IN6O4 MolecularWeight: 622.49837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCCN(C4)C(=O)OC(C)(C)C)I

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCCN(C4)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C26H35IN6O4/c1-6-8-12-36-24-18(13-16(27)14-28-24)22-29-20-19(7-2)33(31-21(20)23(34)30-22)17-10-9-11-32(15-17)25(35)37-26(3,4)5/h13-14,17H,6-12,15H2,1-5H3,(H,29,30,34)