2-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

InChI

InChI=1S/C17H13N3O3S2/c1-19-14(21)12-6-8-24-13(12)18-17(19)25-9-7-20-15(22)10-4-2-3-5-11(10)16(20)23/h2-6,8H,7,9H2,1H3