1-(6-chloranyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-chloranyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-chloro-1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)isonipecotic acid Formula: C12H14ClN5O2 MolecularWeight: 295.72486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C12H14ClN5O2/c1-17-9-8(6-14-17)10(16-12(13)15-9)18-4-2-7(3-5-18)11(19)20/h6-7H,2-5H2,1H3,(H,19,20)