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

Systemtic Name: tert-butyl 4-[5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(5-acetyl-2-butoxypyridin-3-yl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H38N6O5 MolecularWeight: 538.63852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)C(=O)OC(C)(C)C)C(=O)C

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)C(=O)OC(C)(C)C)C(=O)C

InChI

InChI=1S/C28H38N6O5/c1-7-9-14-38-26-20(15-18(16-29-26)17(3)35)24-30-22-21(8-2)34(32-23(22)25(36)31-24)19-10-12-33(13-11-19)27(37)39-28(4,5)6/h15-16,19H,7-14H2,1-6H3,(H,30,31,36)