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

Systemtic Name: tert-butyl 3-[3-ethyl-5-(5-iodanyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate CAS Name: 3-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridinyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-ethyl-5-(5-iodo-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Traditional Name: 3-[3-ethyl-5-(5-iodo-2-propoxy-3-pyridyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C23H29IN6O4 MolecularWeight: 580.41863

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C23H29IN6O4/c1-6-8-33-21-15(9-13(24)10-25-21)19-26-17-16(7-2)30(28-18(17)20(31)27-19)14-11-29(12-14)22(32)34-23(3,4)5/h9-10,14H,6-8,11-12H2,1-5H3,(H,26,27,31)