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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-[2-(1-piperidyl)ethyl]-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-[2-(1-piperidinyl)ethyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(2-piperidinoethylamino)-s-triazin-2-yl]amine Formula: C24H36FN7O MolecularWeight: 457.587343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCCN3CCCCC3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCCN3CCCCC3)NC4CCCCCC4)F

InChI

InChI=1S/C24H36FN7O/c1-33-21-12-11-19(17-20(21)25)28-24-30-22(26-13-16-32-14-7-4-8-15-32)29-23(31-24)27-18-9-5-2-3-6-10-18/h11-12,17-18H,2-10,13-16H2,1H3,(H3,26,27,28,29,30,31)