2-(7-pyrimidin-2-ylsulfanylheptyl)isoindole-1,3-dione

Systemtic Name: 2-(7-pyrimidin-2-ylsulfanylheptyl)isoindole-1,3-dione Openeye Name: 2-(7-pyrimidin-2-ylsulfanylheptyl)isoindoline-1,3-dione CAS Name: 2-[7-(2-pyrimidinylthio)heptyl]isoindole-1,3-dione IUPAC Name: 2-(7-pyrimidin-2-ylsulfanylheptyl)isoindole-1,3-dione Traditional Name: 2-[7-(2-pyrimidylthio)heptyl]isoindoline-1,3-quinone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCSC3=NC=CC=N3

InChI

InChI=1S/C19H21N3O2S/c23-17-15-9-4-5-10-16(15)18(24)22(17)13-6-2-1-3-7-14-25-19-20-11-8-12-21-19/h4-5,8-12H,1-3,6-7,13-14H2