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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-(2-pyridylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-(2-pyridinylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(2-pyridylmethylamino)-s-triazin-2-yl]amine Formula: C23H28FN7O MolecularWeight: 437.513123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CC=CC=N3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CC=CC=N3)NC4CCCCCC4)F

InChI

InChI=1S/C23H28FN7O/c1-32-20-12-11-17(14-19(20)24)28-23-30-21(26-15-18-10-6-7-13-25-18)29-22(31-23)27-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9,15H2,1H3,(H3,26,27,28,29,30,31)