ethyl 4-[6-(5-bromanylpyridin-3-yl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(5-bromanylpyridin-3-yl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(5-bromo-3-pyridyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(5-bromo-3-pyridinyl)-2-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(5-bromopyridin-3-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(5-bromo-3-pyridyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C17H20BrN5O2/c1-3-25-17(24)23-6-4-22(5-7-23)16-9-15(20-12(2)21-16)13-8-14(18)11-19-10-13/h8-11H,3-7H2,1-2H3