N4-cycloheptyl-N6-(4-ethoxy-3-fluoranyl-phenyl)-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(C)C3CCN(CC3)C)NC4CCCCCC4)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(C)C3CCN(CC3)C)NC4CCCCCC4)F

InChI

InChI=1S/C25H38FN7O/c1-4-34-22-12-11-19(17-21(22)26)28-24-29-23(27-18-9-7-5-6-8-10-18)30-25(31-24)33(3)20-13-15-32(2)16-14-20/h11-12,17-18,20H,4-10,13-16H2,1-3H3,(H2,27,28,29,30,31)