N6-[2-azanyl-6-(3-fluorophenyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine

Systemtic Name: N6-[2-azanyl-6-(3-fluorophenyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine Openeye Name: N6-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine CAS Name: N6-[2-amino-6-(3-fluorophenyl)-4-pyrimidinyl]-2-(4-methoxyphenyl)quinoline-4,6-diamine IUPAC Name: 6-N-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine Traditional Name: [2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-[4-amino-2-(4-methoxyphenyl)-6-quinolyl]amine Formula: C26H21FN6O MolecularWeight: 452.482943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CC(=CC=C5)F)N)C(=C2)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CC(=CC=C5)F)N)C(=C2)N

InChI

InChI=1S/C26H21FN6O/c1-34-19-8-5-15(6-9-19)23-13-21(28)20-12-18(7-10-22(20)31-23)30-25-14-24(32-26(29)33-25)16-3-2-4-17(27)11-16/h2-14H,1H3,(H2,28,31)(H3,29,30,32,33)