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

Systemtic Name: 5-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-2-butyl-isoindole-1,3-dione Openeye Name: 5-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-butyl-isoindoline-1,3-dione CAS Name: 5-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-2-butylisoindole-1,3-dione IUPAC Name: 5-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-butylisoindole-1,3-dione Traditional Name: 5-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-butyl-isoindoline-1,3-quinone Formula: C21H22BrN5O3 MolecularWeight: 472.33508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C21H22BrN5O3/c1-2-3-6-27-19(29)16-5-4-14(11-17(16)20(27)30)18(28)25-7-9-26(10-8-25)21-23-12-15(22)13-24-21/h4-5,11-13H,2-3,6-10H2,1H3