[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN4O4/c21-16-4-1-5-17(14-16)28-13-2-6-19(27)29-15-18(26)24-9-11-25(12-10-24)20-22-7-3-8-23-20/h1,3-5,7-8,14H,2,6,9-13,15H2