2-(2-bromanyl-4,5-diethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4,5-diethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4,5-diethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-bromo-4,5-diethoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4,5-diethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4,5-diethoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)Br)OCC

InChI

InChI=1S/C20H25BrN4O3/c1-3-27-17-12-15(16(21)14-18(17)28-4-2)13-19(26)24-8-10-25(11-9-24)20-22-6-5-7-23-20/h5-7,12,14H,3-4,8-11,13H2,1-2H3