2-[5-[4-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]phenoxy]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[4-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]phenoxy]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[4-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenoxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenoxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenoxy]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenoxy]pentyl]isoindoline-1,3-quinone Formula: C24H25N5O3 MolecularWeight: 431.487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H25N5O3/c1-16-15-21(28-24(25)26-16)27-17-9-11-18(12-10-17)32-14-6-2-5-13-29-22(30)19-7-3-4-8-20(19)23(29)31/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H3,25,26,27,28)