N2-(3-chloranyl-4-fluoranyl-phenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-2,6-diamine

Systemtic Name: N2-(3-chloranyl-4-fluoranyl-phenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-2,6-diamine Openeye Name: N2-(3-chloro-4-fluoro-phenyl)-7-(3-morpholinopropoxy)quinazoline-2,6-diamine CAS Name: N2-(3-chloro-4-fluorophenyl)-7-[3-(4-morpholinyl)propoxy]quinazoline-2,6-diamine IUPAC Name: 2-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-2,6-diamine Traditional Name: [6-amino-7-(3-morpholinopropoxy)quinazolin-2-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C21H23ClFN5O2 MolecularWeight: 431.891023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=C(C=C4)F)Cl)N

Isomeric SMILES

C1COCCN1CCCOC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C21H23ClFN5O2/c22-16-11-15(2-3-17(16)23)26-21-25-13-14-10-18(24)20(12-19(14)27-21)30-7-1-4-28-5-8-29-9-6-28/h2-3,10-13H,1,4-9,24H2,(H,25,26,27)