2-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(5-bromopyrimidin-2-yl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20BrN5O3/c21-14-12-22-20(23-13-14)25-10-8-24(9-11-25)17(27)6-3-7-26-18(28)15-4-1-2-5-16(15)19(26)29/h1-2,4-5,12-13H,3,6-11H2