2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-4-(methylthio)butyric acid Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-26-11-10-16(19(24)25)22-18-14-4-2-3-5-15(14)21-17(23-18)12-6-8-13(20)9-7-12/h2-9,16H,10-11H2,1H3,(H,24,25)(H,21,22,23)