2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O3/c25-14(13-24-17(26)15-4-1-2-5-16(15)18(24)27)12-22-8-10-23(11-9-22)19-20-6-3-7-21-19/h1-7,14,25H,8-13H2