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

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

CCC1=CC2=C(S1)N=C(N(C2=O)CC)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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