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

Systemtic Name: 2-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethyl]isoindoline-1,3-quinone Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H15N3O3S/c26-20-15-8-4-5-9-16(15)21(27)25(20)11-10-24-13-23-19-18(22(24)28)17(12-29-19)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2