N-[4-bromanyl-2,6-bis(fluoranyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-[4-bromanyl-2,6-bis(fluoranyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: N-(4-bromo-2,6-difluoro-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: N-(4-bromo-2,6-difluorophenyl)-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: N-(4-bromo-2,6-difluorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: (4-bromo-2,6-difluoro-phenyl)-(6,7-dimethoxyquinazolin-4-yl)amine hydrochloride Formula: C16H13BrClF2N3O2 MolecularWeight: 432.647126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrF2N3O2.ClH/c1-23-13-5-9-12(6-14(13)24-2)20-7-21-16(9)22-15-10(18)3-8(17)4-11(15)19;/h3-7H,1-2H3,(H,20,21,22);1H