3-[[6-chloranyl-2-(1H-imidazol-2-ylmethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[6-chloranyl-2-(1H-imidazol-2-ylmethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[6-chloro-2-(1H-imidazol-2-ylmethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[6-chloro-2-(1H-imidazol-2-ylmethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[6-chloro-2-(1H-imidazol-2-ylmethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[6-chloro-2-(1H-imidazol-2-ylmethyl)quinazolin-4-yl]amino]benzoic acid Formula: C19H14ClN5O2 MolecularWeight: 379.79976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)CC4=NC=CN4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)CC4=NC=CN4)C(=O)O

InChI

InChI=1S/C19H14ClN5O2/c20-12-4-5-15-14(9-12)18(23-13-3-1-2-11(8-13)19(26)27)25-17(24-15)10-16-21-6-7-22-16/h1-9H,10H2,(H,21,22)(H,26,27)(H,23,24,25)