2-(6-pyrimidin-5-ylhexyl)isoindole-1,3-dione

Systemtic Name: 2-(6-pyrimidin-5-ylhexyl)isoindole-1,3-dione Openeye Name: 2-(6-pyrimidin-5-ylhexyl)isoindoline-1,3-dione CAS Name: 2-[6-(5-pyrimidinyl)hexyl]isoindole-1,3-dione IUPAC Name: 2-(6-pyrimidin-5-ylhexyl)isoindole-1,3-dione Traditional Name: 2-[6-(5-pyrimidyl)hexyl]isoindoline-1,3-quinone Formula: C18H19N3O2 MolecularWeight: 309.36236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCC3=CN=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCC3=CN=CN=C3

InChI

InChI=1S/C18H19N3O2/c22-17-15-8-4-5-9-16(15)18(23)21(17)10-6-2-1-3-7-14-11-19-13-20-12-14/h4-5,8-9,11-13H,1-3,6-7,10H2