N-(3-chloranyl-4-fluoranyl-phenyl)-6-hex-5-ynoxy-7-methoxy-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-hex-5-ynoxy-7-methoxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-hex-5-ynoxy-7-methoxy-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-hex-5-ynoxy-7-methoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-hex-5-ynoxy-7-methoxyquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-(6-hex-5-ynoxy-7-methoxy-quinazolin-4-yl)amine Formula: C21H19ClFN3O2 MolecularWeight: 399.845863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCCC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCCC#C

InChI

InChI=1S/C21H19ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-14/h1,7-8,10-13H,4-6,9H2,2H3,(H,24,25,26)