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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-[3-(1-imidazolyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(3-imidazol-1-ylpropylamino)-s-triazin-2-yl]amine Formula: C23H31FN8O MolecularWeight: 454.543643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCCCN3C=CN=C3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCCCN3C=CN=C3)NC4CCCCCC4)F

InChI

InChI=1S/C23H31FN8O/c1-33-20-10-9-18(15-19(20)24)28-23-30-21(26-11-6-13-32-14-12-25-16-32)29-22(31-23)27-17-7-4-2-3-5-8-17/h9-10,12,14-17H,2-8,11,13H2,1H3,(H3,26,27,28,29,30,31)