1-[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[1-(2,5-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]isonipecotamide Formula: C19H22N6O MolecularWeight: 350.41758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C3=C(C=N2)C(=NC=N3)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C3=C(C=N2)C(=NC=N3)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C19H22N6O/c1-12-3-4-13(2)16(9-12)25-19-15(10-23-25)18(21-11-22-19)24-7-5-14(6-8-24)17(20)26/h3-4,9-11,14H,5-8H2,1-2H3,(H2,20,26)