N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-phenylmethoxypropoxy)quinazolin-4-amine hydrochloride

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-phenylmethoxypropoxy)quinazolin-4-amine hydrochloride Openeye Name: 7-(3-benzyloxypropoxy)-N-(4-chloro-2-fluoro-phenyl)-6-methoxy-quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-phenylmethoxypropoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-phenylmethoxypropoxy)quinazolin-4-amine hydrochloride Traditional Name: [7-(3-benzoxypropoxy)-6-methoxy-quinazolin-4-yl]-(4-chloro-2-fluoro-phenyl)amine hydrochloride Formula: C25H24Cl2FN3O3 MolecularWeight: 504.380763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCCOCC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCCOCC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H23ClFN3O3.ClH/c1-31-23-13-19-22(28-16-29-25(19)30-21-9-8-18(26)12-20(21)27)14-24(23)33-11-5-10-32-15-17-6-3-2-4-7-17;/h2-4,6-9,12-14,16H,5,10-11,15H2,1H3,(H,28,29,30);1H