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

Systemtic Name: ethyl 1-[3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]nipecotic acid ethyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5O4/c1-3-32-23(31)17-8-7-12-26(15-17)20(29)11-13-27-16(2)25-21-19(22(27)30)14-24-28(21)18-9-5-4-6-10-18/h4-6,9-10,14,17H,3,7-8,11-13,15H2,1-2H3