2-(8-pyrimidin-2-ylsulfanyloctyl)isoindole-1,3-dione

Systemtic Name: 2-(8-pyrimidin-2-ylsulfanyloctyl)isoindole-1,3-dione Openeye Name: 2-(8-pyrimidin-2-ylsulfanyloctyl)isoindoline-1,3-dione CAS Name: 2-[8-(2-pyrimidinylthio)octyl]isoindole-1,3-dione IUPAC Name: 2-(8-pyrimidin-2-ylsulfanyloctyl)isoindole-1,3-dione Traditional Name: 2-[8-(2-pyrimidylthio)octyl]isoindoline-1,3-quinone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCSC3=NC=CC=N3

InChI

InChI=1S/C20H23N3O2S/c24-18-16-10-5-6-11-17(16)19(25)23(18)14-7-3-1-2-4-8-15-26-20-21-12-9-13-22-20/h5-6,9-13H,1-4,7-8,14-15H2