2-[(5-ethanoyl-4-methyl-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(5-ethanoyl-4-methyl-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-acetyl-4-methyl-pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-acetyl-4-methyl-2-pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-acetyl-4-methylpyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-acetyl-4-methyl-pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)C)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NC(=NC=C1C(=O)C)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13N3O3S/c1-9-13(10(2)20)7-17-16(18-9)23-8-19-14(21)11-5-3-4-6-12(11)15(19)22/h3-7H,8H2,1-2H3