2-[2-oxidanylidene-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C22H24N6O3 MolecularWeight: 420.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H24N6O3/c29-20(14-28-21(30)16-5-1-2-6-17(16)22(28)31)27-11-9-26(10-12-27)19-13-18(23-15-24-19)25-7-3-4-8-25/h1-2,5-6,13,15H,3-4,7-12,14H2