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

Systemtic Name: 2-[4-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C27H31N4O4S+ MolecularWeight: 507.62444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H30N4O4S/c32-24-20-8-1-2-9-21(20)25(33)30(24)13-5-6-19-36-27-28-23-11-4-3-10-22(23)26(34)31(27)14-7-12-29-15-17-35-18-16-29/h1-4,8-11H,5-7,12-19H2/p+1