ethyl (3S)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)nipecotic acid ethyl ester Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2/c1-2-26-19(25)14-7-6-10-23(12-14)17-16-11-22-24(18(16)21-13-20-17)15-8-4-3-5-9-15/h3-5,8-9,11,13-14H,2,6-7,10,12H2,1H3/t14-/m0/s1