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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=C(C=C4N)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=C(C=C4N)C5=CC=C(C=C5)F

InChI

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