2-(3-pyrimidin-2-ylsulfanylpropyl)isoindole-1,3-dione

Systemtic Name: 2-(3-pyrimidin-2-ylsulfanylpropyl)isoindole-1,3-dione Openeye Name: 2-(3-pyrimidin-2-ylsulfanylpropyl)isoindoline-1,3-dione CAS Name: 2-[3-(2-pyrimidinylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-(3-pyrimidin-2-ylsulfanylpropyl)isoindole-1,3-dione Traditional Name: 2-[3-(2-pyrimidylthio)propyl]isoindoline-1,3-quinone Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC=CC=N3

InChI

InChI=1S/C15H13N3O2S/c19-13-11-5-1-2-6-12(11)14(20)18(13)9-4-10-21-15-16-7-3-8-17-15/h1-3,5-8H,4,9-10H2