6-fluoranyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-fluoro-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-fluoro-3-[3-(4-morpholin-4-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-fluoro-3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-fluoro-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C15H19FN3O2S+ MolecularWeight: 324.393663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=C(C=CC(=C3)F)NC2=S

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=C(C=CC(=C3)F)NC2=S

InChI

InChI=1S/C15H18FN3O2S/c16-11-2-3-13-12(10-11)14(20)19(15(22)17-13)5-1-4-18-6-8-21-9-7-18/h2-3,10H,1,4-9H2,(H,17,22)/p+1