ethyl 1-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]isonipecotic acid ethyl ester Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=NC3=C(C2=O)C=NN3C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=NC3=C(C2=O)C=NN3C(C)(C)C)C

InChI

InChI=1S/C21H31N5O4/c1-6-30-20(29)15-7-10-24(11-8-15)17(27)9-12-25-14(2)23-18-16(19(25)28)13-22-26(18)21(3,4)5/h13,15H,6-12H2,1-5H3