5,6-bis(chloranyl)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[4-[4-(2-pyrimidyl)piperazino]butyl]isoindoline-1,3-quinone Formula: C20H21Cl2N5O2 MolecularWeight: 434.31904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=NC=CC=N4

InChI

InChI=1S/C20H21Cl2N5O2/c21-16-12-14-15(13-17(16)22)19(29)27(18(14)28)7-2-1-6-25-8-10-26(11-9-25)20-23-4-3-5-24-20/h3-5,12-13H,1-2,6-11H2