N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

InChI

InChI=1S/C19H26N4O2S/c1-3-14(2)20-18(24)13-26-19-15-6-4-5-7-16(15)21-17(22-19)12-23-8-10-25-11-9-23/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)/p+1/t14-/m0/s1