N-(3-chloranyl-4-fluoranyl-phenyl)-6-[3-(dimethylamino)propoxy]-7-methoxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-[3-(dimethylamino)propoxy]-7-methoxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[3-(dimethylamino)propoxy]-7-methoxy-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine Traditional Name: 3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl-dimethyl-amine Formula: C20H22ClFN4O2 MolecularWeight: 404.865683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

CN(C)CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C20H22ClFN4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-13-5-6-16(22)15(21)9-13/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25)