4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H20N6O2/c1-12-3-2-4-14(9-12)24-17-15(10-21-24)16(19-11-20-17)22-13-5-7-23(8-6-13)18(25)26/h2-4,9-11,13H,5-8H2,1H3,(H,25,26)(H,19,20,22)