ethyl 1-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-3-27-20(26)15-7-5-9-24(12-15)18-17-11-23-25(19(17)22-13-21-18)16-8-4-6-14(2)10-16/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3