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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(4-phenylphenyl)methyl]quinazoline-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[(4-phenylphenyl)methyl]quinazoline-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(4-phenylphenyl)methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-phenylphenyl)methyl]quinazoline-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-(4-phenylbenzyl)amine Formula: C27H20ClFN4 MolecularWeight: 454.925903

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H20ClFN4/c28-24-15-22(10-12-25(24)29)33-27-23-14-21(11-13-26(23)31-17-32-27)30-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,30H,16H2,(H,31,32,33)