(2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: (2R)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]propionamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-13(16(19)23)26-18-20-15-6-3-2-5-14(15)17(24)22(18)8-4-7-21-9-11-25-12-10-21/h2-3,5-6,13H,4,7-12H2,1H3,(H2,19,23)/p+1/t13-/m1/s1