ethyl 1-[3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]nipecotic acid ethyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C20H29N5O4/c1-5-29-19(28)14-7-6-9-23(12-14)16(26)8-10-24-13-21-17-15(18(24)27)11-22-25(17)20(2,3)4/h11,13-14H,5-10,12H2,1-4H3