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

Systemtic Name: N6-(cyclohexylmethyl)-N2-(3-fluoranyl-4-methoxy-phenyl)-N4-(pyrrolidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-(cyclohexylmethyl)-N2-(3-fluoro-4-methoxy-phenyl)-N4-(pyrrolidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-(cyclohexylmethyl)-N2-(3-fluoro-4-methoxyphenyl)-N4-(2-pyrrolidinylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-(cyclohexylmethyl)-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cyclohexylmethyl-[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)NCC4CCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3)NCC4CCCCC4)F

InChI

InChI=1S/C22H32FN7O/c1-31-19-10-9-16(12-18(19)23)27-22-29-20(25-13-15-6-3-2-4-7-15)28-21(30-22)26-14-17-8-5-11-24-17/h9-10,12,15,17,24H,2-8,11,13-14H2,1H3,(H3,25,26,27,28,29,30)