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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(1H-imidazol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-(1H-imidazol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-(1H-imidazol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(1H-imidazol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(1H-imidazol-5-ylmethylamino)-s-triazin-2-yl]amine Formula: C21H27FN8O MolecularWeight: 426.490483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CN=CN3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CN=CN3)NC4CCCCCC4)F

InChI

InChI=1S/C21H27FN8O/c1-31-18-9-8-15(10-17(18)22)27-21-29-19(24-12-16-11-23-13-25-16)28-20(30-21)26-14-6-4-2-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H,23,25)(H3,24,26,27,28,29,30)