4-(10-pyrimidin-2-ylsulfanyldecyl)isoindole-1,3-dione

Systemtic Name: 4-(10-pyrimidin-2-ylsulfanyldecyl)isoindole-1,3-dione Openeye Name: 4-(10-pyrimidin-2-ylsulfanyldecyl)isoindoline-1,3-dione CAS Name: 4-[10-(2-pyrimidinylthio)decyl]isoindole-1,3-dione IUPAC Name: 4-(10-pyrimidin-2-ylsulfanyldecyl)isoindole-1,3-dione Traditional Name: 4-[10-(2-pyrimidylthio)decyl]isoindoline-1,3-quinone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCCCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCCCCCCCCSC3=NC=CC=N3)C(=O)NC2=O

InChI

InChI=1S/C22H27N3O2S/c26-20-18-13-9-12-17(19(18)21(27)25-20)11-7-5-3-1-2-4-6-8-16-28-22-23-14-10-15-24-22/h9-10,12-15H,1-8,11,16H2,(H,25,26,27)