N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(2-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(2-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine Openeye Name: N6-[(2-benzyloxyphenyl)methyl]-N4-(3-chloro-4-fluoro-phenyl)quinazoline-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(2-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-phenylmethoxyphenyl)methyl]quinazoline-4,6-diamine Traditional Name: (2-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=CC=C2CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl

InChI

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