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

Systemtic Name: 2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H19N3O4S/c25-12-5-10-24-20(28)16-8-3-4-9-17(16)22-21(24)29-13-11-23-18(26)14-6-1-2-7-15(14)19(23)27/h1-4,6-9,25H,5,10-13H2