2-(3-bromanyl-1-adamantyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H27BrN4O MolecularWeight: 419.35858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C20H27BrN4O/c21-20-11-15-8-16(12-20)10-19(9-15,14-20)13-17(26)24-4-6-25(7-5-24)18-22-2-1-3-23-18/h1-3,15-16H,4-14H2