4-(9-pyrimidin-2-ylsulfanylnonyl)isoindole-1,3-dione

Systemtic Name: 4-(9-pyrimidin-2-ylsulfanylnonyl)isoindole-1,3-dione Openeye Name: 4-(9-pyrimidin-2-ylsulfanylnonyl)isoindoline-1,3-dione CAS Name: 4-[9-(2-pyrimidinylthio)nonyl]isoindole-1,3-dione IUPAC Name: 4-(9-pyrimidin-2-ylsulfanylnonyl)isoindole-1,3-dione Traditional Name: 4-[9-(2-pyrimidylthio)nonyl]isoindoline-1,3-quinone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

InChI

InChI=1S/C21H25N3O2S/c25-19-17-12-8-11-16(18(17)20(26)24-19)10-6-4-2-1-3-5-7-15-27-21-22-13-9-14-23-21/h8-9,11-14H,1-7,10,15H2,(H,24,25,26)