N-(4-chloranyl-2-fluoranyl-phenyl)-4-methoxy-7-(2-methoxyethylsulfanyl)-1H-quinazolin-4-amine hydrochloride

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-methoxy-7-(2-methoxyethylsulfanyl)-1H-quinazolin-4-amine hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-methoxy-7-(2-methoxyethylsulfanyl)-1H-quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-4-methoxy-7-(2-methoxyethylthio)-1H-quinazolin-4-amine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-methoxy-7-(2-methoxyethylsulfanyl)-1H-quinazolin-4-amine hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[4-methoxy-7-(2-methoxyethylthio)-1H-quinazolin-4-yl]amine hydrochloride Formula: C18H20Cl2FN3O2S MolecularWeight: 432.339703

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=CC2=C(C=C1)C(N=CN2)(NC3=C(C=C(C=C3)Cl)F)OC.Cl

Isomeric SMILES

COCCSC1=CC2=C(C=C1)C(N=CN2)(NC3=C(C=C(C=C3)Cl)F)OC.Cl

InChI

InChI=1S/C18H19ClFN3O2S.ClH/c1-24-7-8-26-13-4-5-14-17(10-13)21-11-22-18(14,25-2)23-16-6-3-12(19)9-15(16)20;/h3-6,9-11,23H,7-8H2,1-2H3,(H,21,22);1H