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

Systemtic Name: 2-[3-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2C)C

InChI

InChI=1S/C21H21N3O3S2/c1-4-23-20(27)16-12(2)13(3)29-17(16)22-21(23)28-11-7-10-24-18(25)14-8-5-6-9-15(14)19(24)26/h5-6,8-9H,4,7,10-11H2,1-3H3