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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-(2-nitrobenzyl)amine Formula: C21H15ClFN5O2 MolecularWeight: 423.827503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClFN5O2/c22-17-10-15(5-7-18(17)23)27-21-16-9-14(6-8-19(16)25-12-26-21)24-11-13-3-1-2-4-20(13)28(29)30/h1-10,12,24H,11H2,(H,25,26,27)