tert-butyl 4-[3-ethyl-5-(5-ethynyl-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-ethynyl-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-ethynyl-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate CAS Name: 4-[3-ethyl-5-(5-ethynyl-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-ethynyl-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[3-ethyl-5-(5-ethynyl-2-propoxy-3-pyridyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N6O4 MolecularWeight: 506.59666

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N6O4/c1-7-14-36-25-19(15-17(8-2)16-28-25)23-29-21-20(9-3)33(31-22(21)24(34)30-23)18-10-12-32(13-11-18)26(35)37-27(4,5)6/h2,15-16,18H,7,9-14H2,1,3-6H3,(H,29,30,34)