N6-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-N4-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N6-cycloheptyl-N2-(3-fluoranyl-4-methoxy-phenyl)-N4-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-cycloheptyl-N2-(3-fluoro-4-methoxy-phenyl)-N4-(4-pyridyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-cycloheptyl-N2-(3-fluoro-4-methoxyphenyl)-N4-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(4-pyridylamino)-s-triazin-2-yl]amine Formula: C22H26FN7O MolecularWeight: 423.486543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=NC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=NC=C4)F

InChI

InChI=1S/C22H26FN7O/c1-31-19-9-8-17(14-18(19)23)27-22-29-20(25-15-6-4-2-3-5-7-15)28-21(30-22)26-16-10-12-24-13-11-16/h8-15H,2-7H2,1H3,(H3,24,25,26,27,28,29,30)