2-(2-dimethylaminoethyl)-5-[[4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]isoindole-1,3-dione

Systemtic Name: 2-(2-dimethylaminoethyl)-5-[[4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]isoindole-1,3-dione Openeye Name: 2-(2-dimethylaminoethyl)-5-[[4-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]isoindoline-1,3-dione CAS Name: 2-(2-dimethylaminoethyl)-5-[[4-[(2-hydroxy-2-phenylethyl)amino]-2-pyrimidinyl]amino]isoindole-1,3-dione IUPAC Name: 2-(2-dimethylaminoethyl)-5-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]isoindole-1,3-dione Traditional Name: 2-(2-dimethylaminoethyl)-5-[[4-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]isoindoline-1,3-quinone Formula: C24H26N6O3 MolecularWeight: 446.50164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)NC3=NC=CC(=N3)NCC(C4=CC=CC=C4)O

Isomeric SMILES

CN(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)NC3=NC=CC(=N3)NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C24H26N6O3/c1-29(2)12-13-30-22(32)18-9-8-17(14-19(18)23(30)33)27-24-25-11-10-21(28-24)26-15-20(31)16-6-4-3-5-7-16/h3-11,14,20,31H,12-13,15H2,1-2H3,(H2,25,26,27,28)