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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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