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

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C15H13N3O2S/c1-9-7-10(2)17-15(16-9)21-8-18-13(19)11-5-3-4-6-12(11)14(18)20/h3-7H,8H2,1-2H3