2-[4-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-oxothieno[3,2-d]pyrimidin-3-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-oxo-3-thieno[3,2-d]pyrimidinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-oxothieno[3,2-d]pyrimidin-3-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-ketothieno[3,2-d]pyrimidin-3-yl)butyl]isoindoline-1,3-quinone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=NC4=C(C3=O)SC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=NC4=C(C3=O)SC=C4

InChI

InChI=1S/C18H15N3O3S/c22-16-12-5-1-2-6-13(12)17(23)21(16)9-4-3-8-20-11-19-14-7-10-25-15(14)18(20)24/h1-2,5-7,10-11H,3-4,8-9H2