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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(pyrrolidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-(pyrrolidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-(2-pyrrolidinylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(pyrrolidin-2-ylmethylamino)-s-triazin-2-yl]amine Formula: C22H32FN7O MolecularWeight: 429.534183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3)NC4CCCCCC4)F

InChI

InChI=1S/C22H32FN7O/c1-31-19-11-10-16(13-18(19)23)27-22-29-20(25-14-17-9-6-12-24-17)28-21(30-22)26-15-7-4-2-3-5-8-15/h10-11,13,15,17,24H,2-9,12,14H2,1H3,(H3,25,26,27,28,29,30)