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

Systemtic Name: ethyl 1-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-3-28-20(26)14-5-4-10-24(12-14)18-17-11-23-25(19(17)22-13-21-18)15-6-8-16(27-2)9-7-15/h6-9,11,13-14H,3-5,10,12H2,1-2H3