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

Systemtic Name: (2S)-N-cyclopropyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-cyclopropyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-cyclopropyl-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-cyclopropyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propionamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C19H24N4O2S/c1-13(18(24)20-14-6-7-14)26-19-15-4-2-3-5-16(15)21-17(22-19)12-23-8-10-25-11-9-23/h2-5,13-14H,6-12H2,1H3,(H,20,24)/p+1/t13-/m0/s1