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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-morpholin-4-ylpropylsulfanyl)quinazolin-4-amine hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-(3-morpholinopropylsulfanyl)quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-(4-morpholinyl)propylthio]-4-quinazolinamine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-morpholin-4-ylpropylsulfanyl)quinazolin-4-amine hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-(3-morpholinopropylthio)quinazolin-4-yl]amine hydrochloride Formula: C22H25Cl2FN4O2S MolecularWeight: 499.428903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)SCCCN4CCOCC4.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)SCCCN4CCOCC4.Cl

InChI

InChI=1S/C22H24ClFN4O2S.ClH/c1-29-20-12-16-19(13-21(20)31-10-2-5-28-6-8-30-9-7-28)25-14-26-22(16)27-18-4-3-15(23)11-17(18)24;/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27);1H