N-(2-methoxyethyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxyethyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methoxyethyl)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

Isomeric SMILES

COCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H28N4O4S/c1-27-12-7-21-18(25)15-29-20-22-17-6-3-2-5-16(17)19(26)24(20)9-4-8-23-10-13-28-14-11-23/h2-3,5-6H,4,7-15H2,1H3,(H,21,25)/p+1