2-[2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2C)C

InChI

InChI=1S/C20H19N3O3S2/c1-4-22-19(26)15-11(2)12(3)28-16(15)21-20(22)27-10-9-23-17(24)13-7-5-6-8-14(13)18(23)25/h5-8H,4,9-10H2,1-3H3