N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-ethyl]-2-phenoxy-acetamide Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H20BrN5O3/c19-14-10-21-18(22-11-14)24-8-6-23(7-9-24)17(26)12-20-16(25)13-27-15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-13H2,(H,20,25)