tert-butyl 4-[3-(furan-2-ylmethylcarbamoyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(furan-2-ylmethylcarbamoyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-furylmethylcarbamoyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-[(2-furanylmethylamino)-oxomethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(furan-2-ylmethylcarbamoyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(2-furfurylcarbamoyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H27N5O5/c1-22(2,3)32-21(30)26-8-6-14(7-9-26)17-11-18(28)27-19(25-17)16(13-24-27)20(29)23-12-15-5-4-10-31-15/h4-5,10-11,13-14,24H,6-9,12H2,1-3H3,(H,23,29)