4-[(2-methylsulfanylquinazolin-4-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methylsulfanylquinazolin-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-methylsulfanylquinazolin-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(methylthio)-4-quinazolinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methylsulfanylquinazolin-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[2-(methylthio)quinazolin-4-yl]amino]butyric acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=N1)NC(=O)CCC(=O)O

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=N1)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-20-13-14-9-5-3-2-4-8(9)12(16-13)15-10(17)6-7-11(18)19/h2-5H,6-7H2,1H3,(H,18,19)(H,14,15,16,17)