4-(7-pyrimidin-2-ylsulfanylheptyl)isoindole-1,3-dione

Systemtic Name: 4-(7-pyrimidin-2-ylsulfanylheptyl)isoindole-1,3-dione Openeye Name: 4-(7-pyrimidin-2-ylsulfanylheptyl)isoindoline-1,3-dione CAS Name: 4-[7-(2-pyrimidinylthio)heptyl]isoindole-1,3-dione IUPAC Name: 4-(7-pyrimidin-2-ylsulfanylheptyl)isoindole-1,3-dione Traditional Name: 4-[7-(2-pyrimidylthio)heptyl]isoindoline-1,3-quinone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

InChI

InChI=1S/C19H21N3O2S/c23-17-15-10-6-9-14(16(15)18(24)22-17)8-4-2-1-3-5-13-25-19-20-11-7-12-21-19/h6-7,9-12H,1-5,8,13H2,(H,22,23,24)