4-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]besylic acid Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=CC=C(C=C3)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=CC=C(C=C3)S(=O)(=O)O)OC

InChI

InChI=1S/C16H14ClN3O5S/c1-24-13-7-11-12(8-14(13)25-2)19-16(17)20-15(11)18-9-3-5-10(6-4-9)26(21,22)23/h3-8H,1-2H3,(H,18,19,20)(H,21,22,23)