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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(C(N1NC=O)C2CCCCN2C(=O)O)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5

Isomeric SMILES

CC(C)(C)C1C(C(N1NC=O)C2CCCCN2C(=O)O)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5

InChI

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