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

Systemtic Name: N6-cycloheptyl-N2-(4-ethoxy-3-fluoranyl-phenyl)-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-cycloheptyl-N2-(4-ethoxy-3-fluoro-phenyl)-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-cycloheptyl-N2-(4-ethoxy-3-fluorophenyl)-N4-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-cycloheptyl-2-N-(4-ethoxy-3-fluorophenyl)-4-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(4-ethoxy-3-fluoro-anilino)-6-(1-pyrrolidin-2-ylpropylamino)-s-triazin-2-yl]amine Formula: C25H38FN7O MolecularWeight: 471.613923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC)F

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC)F

InChI

InChI=1S/C25H38FN7O/c1-3-20(21-12-9-15-27-21)30-25-32-23(28-17-10-7-5-6-8-11-17)31-24(33-25)29-18-13-14-22(34-4-2)19(26)16-18/h13-14,16-17,20-21,27H,3-12,15H2,1-2H3,(H3,28,29,30,31,32,33)