2-[2-tert-butyl-3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-formamido-azetidin-3-yl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-tert-butyl-3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-formamido-azetidin-3-yl]piperidine-1-carboxylic acid Openeye Name: 2-[2-tert-butyl-3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-formamido-azetidin-3-yl]piperidine-1-carboxylic acid CAS Name: 2-[2-tert-butyl-3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-formamido-3-azetidinyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-tert-butyl-3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-formamidoazetidin-3-yl]piperidine-1-carboxylic acid Traditional Name: 2-[2-tert-butyl-3-(1-cyclohexyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-formamido-azetidin-3-yl]piperidine-1-carboxylic acid Formula: C25H37N7O4 MolecularWeight: 499.60578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CN1NC=O)(C2CCCCN2C(=O)O)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5

Isomeric SMILES

CC(C)(C)C1C(CN1NC=O)(C2CCCCN2C(=O)O)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5

InChI

InChI=1S/C25H37N7O4/c1-24(2,3)21-25(14-31(21)27-15-33,18-11-7-8-12-30(18)23(35)36)22-28-19-17(20(34)29-22)13-26-32(19)16-9-5-4-6-10-16/h13,15-16,18,21,26H,4-12,14H2,1-3H3,(H,27,33)(H,35,36)