(2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

Systemtic Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Openeye Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide CAS Name: (2R)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2R)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propionamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

InChI

InChI=1S/C16H20N4O2S/c1-11(15(17)21)23-16-12-4-2-3-5-13(12)18-14(19-16)10-20-6-8-22-9-7-20/h2-5,11H,6-10H2,1H3,(H2,17,21)/p+1/t11-/m1/s1