2-[4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C23H23N3O4S/c27-14-7-13-26-22(30)18-10-3-4-11-19(18)24-23(26)31-15-6-5-12-25-20(28)16-8-1-2-9-17(16)21(25)29/h1-4,8-11,27H,5-7,12-15H2