N6-(2-azanyl-6-phenylmethoxy-pyrimidin-4-yl)-2-(4-fluorophenyl)quinoline-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC(=C2)NC3=CC4=C(C=C3)N=C(C=C4N)C5=CC=C(C=C5)F)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC(=C2)NC3=CC4=C(C=C3)N=C(C=C4N)C5=CC=C(C=C5)F)N

InChI

InChI=1S/C26H21FN6O/c27-18-8-6-17(7-9-18)23-13-21(28)20-12-19(10-11-22(20)31-23)30-24-14-25(33-26(29)32-24)34-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,28,31)(H3,29,30,32,33)