4-[(2-azanyl-4-methylsulfanyl-quinazolin-6-yl)methylamino]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-methylsulfanyl-quinazolin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(2-amino-4-methylsulfanyl-quinazolin-6-yl)methylamino]benzoic acid CAS Name: 4-[[2-amino-4-(methylthio)-6-quinazolinyl]methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-methylsulfanylquinazolin-6-yl)methylamino]benzoic acid Traditional Name: 4-[[2-amino-4-(methylthio)quinazolin-6-yl]methylamino]benzoic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CSC1=NC(=NC2=C1C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C17H16N4O2S/c1-24-15-13-8-10(2-7-14(13)20-17(18)21-15)9-19-12-5-3-11(4-6-12)16(22)23/h2-8,19H,9H2,1H3,(H,22,23)(H2,18,20,21)