4-[[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-5-chloro-4-keto-1H-quinazolin-6-yl)amino]methyl]benzoic acid Formula: C16H13ClN4O3 MolecularWeight: 344.75242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl)C(=O)O

InChI

InChI=1S/C16H13ClN4O3/c17-13-11(6-5-10-12(13)14(22)21-16(18)20-10)19-7-8-1-3-9(4-2-8)15(23)24/h1-6,19H,7H2,(H,23,24)(H3,18,20,21,22)