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

Systemtic Name: 2-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-oxo-butyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[4-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-4-oxobutyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[4-[4-(5-bromopyrimidin-2-yl)piperazino]-4-keto-butyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H22BrN5O3 MolecularWeight: 472.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C21H22BrN5O3/c1-14-4-5-16-17(11-14)20(30)27(19(16)29)6-2-3-18(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