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

Systemtic Name: 4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid hydrochloride Openeye Name: 4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid hydrochloride CAS Name: 4-(methylthio)-2-[(2-phenyl-4-quinazolinyl)amino]butanoic acid hydrochloride IUPAC Name: 4-methylsulfanyl-2-[(2-phenylquinazolin-4-yl)amino]butanoic acid hydrochloride Traditional Name: 4-(methylthio)-2-[(2-phenylquinazolin-4-yl)amino]butyric acid hydrochloride Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S.ClH/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);1H