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

Systemtic Name: 2-[4-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H25N3O4S/c29-22-18-9-1-2-10-19(18)23(30)27(22)13-5-6-15-33-25-26-21-12-4-3-11-20(21)24(31)28(25)16-17-8-7-14-32-17/h1-4,9-12,17H,5-8,13-16H2