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

Systemtic Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H15N3O2S/c1-10-9-11(2)18-16(17-10)22-8-7-19-14(20)12-5-3-4-6-13(12)15(19)21/h3-6,9H,7-8H2,1-2H3