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

Systemtic Name: 3-[[6-chloranyl-2-(imidazol-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid dihydrochloride Openeye Name: 3-[[6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid dihydrochloride CAS Name: 3-[[6-chloro-2-(1-imidazolylmethyl)-4-quinazolinyl]amino]benzoic acid dihydrochloride IUPAC Name: 3-[[6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid dihydrochloride Traditional Name: 3-[[6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid dihydrochloride Formula: C19H16Cl3N5O2 MolecularWeight: 452.72164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)CN4C=CN=C4)C(=O)O.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Cl)CN4C=CN=C4)C(=O)O.Cl.Cl

InChI

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