N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N(CCC#N)CC4=CC=CO4

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)N(CCC#N)CC4=CC=CO4

InChI

InChI=1S/C23H25N5O3S/c24-8-4-9-28(15-18-5-3-12-31-18)22(29)17-32-23-19-6-1-2-7-20(19)25-21(26-23)16-27-10-13-30-14-11-27/h1-3,5-7,12H,4,9-11,13-17H2/p+1