N-(4-chloranyl-2-fluoranyl-phenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxy-quinazolin-4-amine

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxy-quinazolin-4-amine Openeye Name: N-(4-chloro-2-fluoro-phenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxy-quinazolin-4-amine CAS Name: N-(4-chloro-2-fluorophenyl)-7-[3-(1-imidazolyl)propoxy]-6-methoxy-4-quinazolinamine IUPAC Name: N-(4-chloro-2-fluorophenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine Traditional Name: (4-chloro-2-fluoro-phenyl)-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-quinazolin-4-yl]amine Formula: C21H19ClFN5O2 MolecularWeight: 427.859263

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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)OCCCN4C=CN=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCCN4C=CN=C4

InChI

InChI=1S/C21H19ClFN5O2/c1-29-19-10-15-18(11-20(19)30-8-2-6-28-7-5-24-13-28)25-12-26-21(15)27-17-4-3-14(22)9-16(17)23/h3-5,7,9-13H,2,6,8H2,1H3,(H,25,26,27)