tert-butyl N-[(5-bromanyl-2-cyano-pyrimidin-4-yl)-(1-ethanoylpiperidin-4-yl)amino]carbamate

Systemtic Name: tert-butyl N-[(5-bromanyl-2-cyano-pyrimidin-4-yl)-(1-ethanoylpiperidin-4-yl)amino]carbamate Openeye Name: tert-butyl N-[(1-acetyl-4-piperidyl)-(5-bromo-2-cyano-pyrimidin-4-yl)amino]carbamate CAS Name: N-[(1-acetyl-4-piperidinyl)-(5-bromo-2-cyano-4-pyrimidinyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1-acetylpiperidin-4-yl)-(5-bromo-2-cyanopyrimidin-4-yl)amino]carbamate Traditional Name: N-[(1-acetyl-4-piperidyl)-(5-bromo-2-cyano-pyrimidin-4-yl)amino]carbamic acid tert-butyl ester Formula: C17H23BrN6O3 MolecularWeight: 439.30692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N(C2=NC(=NC=C2Br)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1CCC(CC1)N(C2=NC(=NC=C2Br)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23BrN6O3/c1-11(25)23-7-5-12(6-8-23)24(22-16(26)27-17(2,3)4)15-13(18)10-20-14(9-19)21-15/h10,12H,5-8H2,1-4H3,(H,22,26)