4-(8-pyrimidin-2-ylsulfanyloctyl)isoindole-1,3-dione

Systemtic Name: 4-(8-pyrimidin-2-ylsulfanyloctyl)isoindole-1,3-dione Openeye Name: 4-(8-pyrimidin-2-ylsulfanyloctyl)isoindoline-1,3-dione CAS Name: 4-[8-(2-pyrimidinylthio)octyl]isoindole-1,3-dione IUPAC Name: 4-(8-pyrimidin-2-ylsulfanyloctyl)isoindole-1,3-dione Traditional Name: 4-[8-(2-pyrimidylthio)octyl]isoindoline-1,3-quinone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

InChI

InChI=1S/C20H23N3O2S/c24-18-16-11-7-10-15(17(16)19(25)23-18)9-5-3-1-2-4-6-14-26-20-21-12-8-13-22-20/h7-8,10-13H,1-6,9,14H2,(H,23,24,25)