(2S)-2-[(2-chloranylquinazolin-4-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(2-chloranylquinazolin-4-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(2-chloro-4-quinazolinyl)amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloroquinazolin-4-yl)amino]-4-(methylthio)butyrate Formula: C13H13ClN3O2S- MolecularWeight: 310.77922

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-20-7-6-10(12(18)19)15-11-8-4-2-3-5-9(8)16-13(14)17-11/h2-5,10H,6-7H2,1H3,(H,18,19)(H,15,16,17)/p-1/t10-/m0/s1