2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[[2-(2-furanyl)-4-quinazolinyl]thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[[2-(2-furyl)quinazolin-4-yl]thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4)[NH+]5CCOCC5

InChI

InChI=1S/C25H30N4O3S/c30-22(26-18-25(10-4-1-5-11-25)29-12-15-31-16-13-29)17-33-24-19-7-2-3-8-20(19)27-23(28-24)21-9-6-14-32-21/h2-3,6-9,14H,1,4-5,10-13,15-18H2,(H,26,30)/p+1