4-[[2-(2-azanyl-7-methyl-quinazolin-4-yl)-5-chloranyl-phenyl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[2-(2-azanyl-7-methyl-quinazolin-4-yl)-5-chloranyl-phenyl]carbamoylamino]benzoic acid Openeye Name: 4-[[2-(2-amino-7-methyl-quinazolin-4-yl)-5-chloro-phenyl]carbamoylamino]benzoic acid CAS Name: 4-[[[2-(2-amino-7-methyl-4-quinazolinyl)-5-chloroanilino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-amino-7-methylquinazolin-4-yl)-5-chlorophenyl]carbamoylamino]benzoic acid Traditional Name: 4-[[2-(2-amino-7-methyl-quinazolin-4-yl)-5-chloro-phenyl]carbamoylamino]benzoic acid Formula: C23H18ClN5O3 MolecularWeight: 447.87372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N)C3=C(C=C(C=C3)Cl)NC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N)C3=C(C=C(C=C3)Cl)NC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18ClN5O3/c1-12-2-8-16-18(10-12)27-22(25)29-20(16)17-9-5-14(24)11-19(17)28-23(32)26-15-6-3-13(4-7-15)21(30)31/h2-11H,1H3,(H,30,31)(H2,25,27,29)(H2,26,28,32)