2-bromanyl-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoranyl-phenol hydrate hydrochloride

Systemtic Name: 2-bromanyl-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoranyl-phenol hydrate hydrochloride Openeye Name: 2-bromo-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-phenol hydrate hydrochloride CAS Name: 2-bromo-5-[(6,7-dimethoxy-4-quinazolinyl)amino]-4-fluorophenol hydrate hydrochloride IUPAC Name: 2-bromo-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenol hydrate hydrochloride Traditional Name: 2-bromo-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-phenol hydrate hydrochloride Formula: C16H16BrClFN3O4 MolecularWeight: 448.671343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3F)Br)O)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3F)Br)O)OC.O.Cl

InChI

InChI=1S/C16H13BrFN3O3.ClH.H2O/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)9(17)4-10(12)18;;/h3-7,22H,1-2H3,(H,19,20,21);1H;1H2