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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-methylsulfonylpropoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[7-(3-mesylpropoxy)-6-methoxy-quinazolin-4-yl]amine hydrochloride Formula: C19H20Cl2FN3O4S MolecularWeight: 476.349203

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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)OCCCS(=O)(=O)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFN3O4S.ClH/c1-27-17-9-13-16(10-18(17)28-6-3-7-29(2,25)26)22-11-23-19(13)24-15-5-4-12(20)8-14(15)21;/h4-5,8-11H,3,6-7H2,1-2H3,(H,22,23,24);1H