(2S)-4-methylsulfanyl-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(morpholinomethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S)-4-(methylthio)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(morpholinomethyl)quinazolin-4-yl]ammonio]butyrate Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)CN3CCOCC3

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)CN3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-26-11-6-15(18(23)24)20-17-13-4-2-3-5-14(13)19-16(21-17)12-22-7-9-25-10-8-22/h2-5,15H,6-12H2,1H3,(H,23,24)(H,19,20,21)/t15-/m0/s1