2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C13H9N3O3S/c17-10-5-6-14-13(15-10)20-7-16-11(18)8-3-1-2-4-9(8)12(16)19/h1-6H,7H2,(H,14,15,17)