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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCCSC3=NC=CC=N3

InChI

InChI=1S/C22H27N3O2S/c26-20-18-12-7-8-13-19(18)21(27)25(20)16-9-5-3-1-2-4-6-10-17-28-22-23-14-11-15-24-22/h7-8,11-15H,1-6,9-10,16-17H2