N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-[2-(1-methylimidazol-2-yl)sulfanylethoxy]quinazolin-4-amine

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-[2-(1-methylimidazol-2-yl)sulfanylethoxy]quinazolin-4-amine Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-[2-(1-methylimidazol-2-yl)sulfanylethoxy]quinazolin-4-amine CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[(1-methyl-2-imidazolyl)thio]ethoxy]-4-quinazolinamine IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(1-methylimidazol-2-yl)sulfanylethoxy]quinazolin-4-amine Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-[2-[(1-methylimidazol-2-yl)thio]ethoxy]quinazolin-4-yl]amine Formula: C21H19ClFN5O2S MolecularWeight: 459.924263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Cl)F)OC

Isomeric SMILES

CN1C=CN=C1SCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Cl)F)OC

InChI

InChI=1S/C21H19ClFN5O2S/c1-28-6-5-24-21(28)31-8-7-30-19-11-17-14(10-18(19)29-2)20(26-12-25-17)27-16-4-3-13(22)9-15(16)23/h3-6,9-12H,7-8H2,1-2H3,(H,25,26,27)