N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-[3-(1-methylimidazol-2-yl)sulfanylpropoxy]quinazolin-4-amine

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-[3-(1-methylimidazol-2-yl)sulfanylpropoxy]quinazolin-4-amine Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-[3-(1-methylimidazol-2-yl)sulfanylpropoxy]quinazolin-4-amine CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-[(1-methyl-2-imidazolyl)thio]propoxy]-4-quinazolinamine IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-(1-methylimidazol-2-yl)sulfanylpropoxy]quinazolin-4-amine Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-[3-[(1-methylimidazol-2-yl)thio]propoxy]quinazolin-4-yl]amine Formula: C22H21ClFN5O2S MolecularWeight: 473.950843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Cl)F)OC

Isomeric SMILES

CN1C=CN=C1SCCCOC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Cl)F)OC

InChI

InChI=1S/C22H21ClFN5O2S/c1-29-7-6-25-22(29)32-9-3-8-31-20-12-18-15(11-19(20)30-2)21(27-13-26-18)28-17-5-4-14(23)10-16(17)24/h4-7,10-13H,3,8-9H2,1-2H3,(H,26,27,28)