2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(2,6-dimethyl-4-pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(2,6-dimethylpyrimidin-4-yl)thio]propyl]isoindoline-1,3-quinone Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17N3O2S/c1-11-10-15(19-12(2)18-11)23-9-5-8-20-16(21)13-6-3-4-7-14(13)17(20)22/h3-4,6-7,10H,5,8-9H2,1-2H3