tert-butyl 4-[[5-cyano-4-(6-fluoranyl-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-cyano-4-(6-fluoranyl-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-cyano-4-(6-fluoro-1H-indol-3-yl)-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H25FN6O2 MolecularWeight: 436.482003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(=C4)F)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(=C4)F)C#N

InChI

InChI=1S/C23H25FN6O2/c1-23(2,3)32-22(31)30-8-6-16(7-9-30)28-21-27-12-14(11-25)20(29-21)18-13-26-19-10-15(24)4-5-17(18)19/h4-5,10,12-13,16,26H,6-9H2,1-3H3,(H,27,28,29)