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

Systemtic Name: 2-[3-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H17N3O3S2/c27-19-18-17(14-7-2-1-3-8-14)13-31-20(18)25-23(24-19)30-12-6-11-26-21(28)15-9-4-5-10-16(15)22(26)29/h1-5,7-10,13H,6,11-12H2,(H,24,25,27)