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

Systemtic Name: ethyl 4-[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(5-bromo-3-pyridinyl)-2-phenyl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(5-bromopyridin-3-yl)-2-phenylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC(=CN=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H22BrN5O2/c1-2-30-22(29)28-10-8-27(9-11-28)20-13-19(17-12-18(23)15-24-14-17)25-21(26-20)16-6-4-3-5-7-16/h3-7,12-15H,2,8-11H2,1H3