3-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-hydroxy-benzenesulfonic acid CAS Name: 3-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-4-hydroxybenzenesulfonic acid IUPAC Name: 3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-hydroxybenzenesulfonic acid Traditional Name: 3-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-hydroxy-besylic acid Formula: C16H14ClN3O6S MolecularWeight: 411.81686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O6S/c1-25-13-6-9-10(7-14(13)26-2)19-16(17)20-15(9)18-11-5-8(27(22,23)24)3-4-12(11)21/h3-7,21H,1-2H3,(H,18,19,20)(H,22,23,24)