N-bromanyl-N-(2-fluorophenyl)-6-methoxy-7-phenylmethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-bromanyl-N-(2-fluorophenyl)-6-methoxy-7-phenylmethoxy-quinazolin-4-amine hydrochloride Openeye Name: 7-benzyloxy-N-bromo-N-(2-fluorophenyl)-6-methoxy-quinazolin-4-amine hydrochloride CAS Name: N-bromo-N-(2-fluorophenyl)-6-methoxy-7-phenylmethoxy-4-quinazolinamine hydrochloride IUPAC Name: N-bromo-N-(2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine hydrochloride Traditional Name: (7-benzoxy-6-methoxy-quinazolin-4-yl)-bromo-(2-fluorophenyl)amine hydrochloride Formula: C22H18BrClFN3O2 MolecularWeight: 490.752623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N(C3=CC=CC=C3F)Br)OCC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N(C3=CC=CC=C3F)Br)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H17BrFN3O2.ClH/c1-28-20-11-16-18(12-21(20)29-13-15-7-3-2-4-8-15)25-14-26-22(16)27(23)19-10-6-5-9-17(19)24;/h2-12,14H,13H2,1H3;1H