(2S)-N-tert-butyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-tert-butyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-tert-butyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-tert-butyl-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-tert-butyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propionamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-14(18(25)23-20(2,3)4)27-19-15-7-5-6-8-16(15)21-17(22-19)13-24-9-11-26-12-10-24/h5-8,14H,9-13H2,1-4H3,(H,23,25)/p+1/t14-/m0/s1