N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(3-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(3-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine Openeye Name: N6-[(3-benzyloxyphenyl)methyl]-N4-(3-chloro-4-fluoro-phenyl)quinazoline-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(3-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(3-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine Traditional Name: (3-benzoxybenzyl)-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]amine Formula: C28H22ClFN4O MolecularWeight: 484.951883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C28H22ClFN4O/c29-25-15-22(9-11-26(25)30)34-28-24-14-21(10-12-27(24)32-18-33-28)31-16-20-7-4-8-23(13-20)35-17-19-5-2-1-3-6-19/h1-15,18,31H,16-17H2,(H,32,33,34)