tert-butyl 4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28FN5O4 MolecularWeight: 445.487223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H28FN5O4/c1-22(2,3)32-21(30)28-9-7-14(8-10-28)26-20-25-12-16(19(24)27-20)18(29)15-11-13(23)5-6-17(15)31-4/h5-6,11-12,14H,7-10H2,1-4H3,(H3,24,25,26,27)