2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-21-17(24)14-5-2-3-6-15(14)20-18(21)26-13-16(23)19-7-4-8-22-9-11-25-12-10-22/h2-3,5-6H,4,7-13H2,1H3,(H,19,23)/p+1