2-[3-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

InChI

InChI=1S/C18H15N3O3S2/c1-20-15(22)13-7-10-25-14(13)19-18(20)26-9-4-8-21-16(23)11-5-2-3-6-12(11)17(21)24/h2-3,5-7,10H,4,8-9H2,1H3