3-(3-morpholin-4-ium-4-ylpropyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H24N4O3S/c26-19(18-7-3-8-22-18)15-29-21-23-17-6-2-1-5-16(17)20(27)25(21)10-4-9-24-11-13-28-14-12-24/h1-3,5-8,22H,4,9-15H2/p+1