2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-[2-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: N-[2-(2-ketopyrrolidino)phenyl]-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C25H28N5O3S+ MolecularWeight: 478.58652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C25H27N5O3S/c31-23(27-20-8-3-4-9-21(20)30-11-5-10-24(30)32)17-34-25-18-6-1-2-7-19(18)26-22(28-25)16-29-12-14-33-15-13-29/h1-4,6-9H,5,10-17H2,(H,27,31)/p+1