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

Systemtic Name: 2-[3-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propyl]isoindoline-1,3-quinone Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C22H21N3O4S/c26-13-5-11-25-21(29)17-9-3-4-10-18(17)23-22(25)30-14-6-12-24-19(27)15-7-1-2-8-16(15)20(24)28/h1-4,7-10,26H,5-6,11-14H2