2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]acetonitrile Formula: C16H19N4O2S+ MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C16H18N4O2S/c17-5-12-23-16-18-14-4-2-1-3-13(14)15(21)20(16)7-6-19-8-10-22-11-9-19/h1-4H,6-12H2/p+1