2-methyl-N-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]propanamide

Systemtic Name: 2-methyl-N-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]propanamide Openeye Name: 2-methyl-N-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]propanamide CAS Name: 2-methyl-N-[2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]propanamide IUPAC Name: 2-methyl-N-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]propanamide Traditional Name: N-[2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]acetyl]-2-methyl-propionamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-15(2)19(27)23-18(26)14-30-21-22-17-7-4-3-6-16(17)20(28)25(21)9-5-8-24-10-12-29-13-11-24/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,23,26,27)/p+1