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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-pent-4-ynoxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-pent-4-ynoxy-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-pent-4-ynoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-pent-4-ynoxyquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-(7-methoxy-6-pent-4-ynoxy-quinazolin-4-yl)amine Formula: C20H17ClFN3O2 MolecularWeight: 385.819283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3O2/c1-3-4-5-8-27-19-10-14-17(11-18(19)26-2)23-12-24-20(14)25-13-6-7-16(22)15(21)9-13/h1,6-7,9-12H,4-5,8H2,2H3,(H,23,24,25)