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

Systemtic Name: 2-[4-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC(=C2C)C

InChI

InChI=1S/C22H23N3O3S2/c1-4-24-21(28)17-13(2)14(3)30-18(17)23-22(24)29-12-8-7-11-25-19(26)15-9-5-6-10-16(15)20(25)27/h5-6,9-10H,4,7-8,11-12H2,1-3H3