1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-(3,4-dimethylphenoxy)ethanone Formula: C18H21BrN4O2 MolecularWeight: 405.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C

InChI

InChI=1S/C18H21BrN4O2/c1-13-3-4-16(9-14(13)2)25-12-17(24)22-5-7-23(8-6-22)18-20-10-15(19)11-21-18/h3-4,9-11H,5-8,12H2,1-2H3