4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; molecular hydrogen; hydrochloride

Systemtic Name: 4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; molecular hydrogen; hydrochloride Openeye Name: 4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; molecular hydrogen; hydrochloride CAS Name: 4-(methylthio)-2-[(2-phenyl-4-quinazolinyl)amino]butanoic acid; molecular hydrogen; hydrochloride IUPAC Name: 4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid; molecular hydrogen; hydrochloride Traditional Name: 4-(methylthio)-2-[(2-phenylquinazolin-4-yl)amino]butyric acid; molecular hydrogen; hydrochloride Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl

Isomeric SMILES

[HH].CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl

InChI

InChI=1S/C19H19N3O2S.ClH.H2/c1-25-12-11-16(19(23)24)21-18-14-9-5-6-10-15(14)20-17(22-18)13-7-3-2-4-8-13;;/h2-10,16H,11-12H2,1H3,(H,23,24)(H,20,21,22);2*1H