2-[(6-bromanylquinazolin-4-yl)amino]-4-methylsulfanyl-butanoic acid; hydron; chloride

Systemtic Name: 2-[(6-bromanylquinazolin-4-yl)amino]-4-methylsulfanyl-butanoic acid; hydron; chloride Openeye Name: 2-[(6-bromoquinazolin-4-yl)amino]-4-methylsulfanyl-butanoic acid; hydron; chloride CAS Name: 2-[(6-bromo-4-quinazolinyl)amino]-4-(methylthio)butanoic acid; hydron; chloride IUPAC Name: 2-[(6-bromoquinazolin-4-yl)amino]-4-methylsulfanylbutanoic acid; hydron; chloride Traditional Name: 2-[(6-bromoquinazolin-4-yl)amino]-4-(methylthio)butyric acid; hydron; chloride Formula: C13H15BrClN3O2S MolecularWeight: 392.6991

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CSCCC(C(=O)O)NC1=NC=NC2=C1C=C(C=C2)Br.[Cl-]

Isomeric SMILES

[H+].CSCCC(C(=O)O)NC1=NC=NC2=C1C=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C13H14BrN3O2S.ClH/c1-20-5-4-11(13(18)19)17-12-9-6-8(14)2-3-10(9)15-7-16-12;/h2-3,6-7,11H,4-5H2,1H3,(H,18,19)(H,15,16,17);1H