N6-[2-azanyl-6-(4-bromophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine

Systemtic Name: N6-[2-azanyl-6-(4-bromophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine Openeye Name: N6-[2-amino-6-(4-bromophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine CAS Name: N6-[2-amino-6-(4-bromophenyl)-4-pyrimidinyl]-2-(4-fluorophenyl)quinoline-4,6-diamine IUPAC Name: 6-N-[2-amino-6-(4-bromophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine Traditional Name: [2-amino-6-(4-bromophenyl)pyrimidin-4-yl]-[4-amino-2-(4-fluorophenyl)-6-quinolyl]amine Formula: C25H18BrFN6 MolecularWeight: 501.353023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CC=C(C=C5)Br)N)C(=C2)N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CC=C(C=C5)Br)N)C(=C2)N)F

InChI

InChI=1S/C25H18BrFN6/c26-16-5-1-14(2-6-16)23-13-24(33-25(29)32-23)30-18-9-10-21-19(11-18)20(28)12-22(31-21)15-3-7-17(27)8-4-15/h1-13H,(H2,28,31)(H3,29,30,32,33)