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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]methyl]isoindoline-1,3-quinone Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C18H15N3O3S2/c1-9-10(2)26-16-14(9)15(22)19-13(20-16)7-25-8-21-17(23)11-5-3-4-6-12(11)18(21)24/h3-6H,7-8H2,1-2H3,(H,19,20,22)