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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCSC3=NC=CC=N3

InChI

InChI=1S/C21H25N3O2S/c25-19-17-11-6-7-12-18(17)20(26)24(19)15-8-4-2-1-3-5-9-16-27-21-22-13-10-14-23-21/h6-7,10-14H,1-5,8-9,15-16H2