N4-(3-bromanyl-4-ethoxy-phenyl)-N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-(3-bromanyl-4-ethoxy-phenyl)-N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(3-bromo-4-ethoxy-phenyl)-N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(3-bromo-4-ethoxyphenyl)-N2-cycloheptyl-N6-[(1-ethyl-2-pyrrolidinyl)methyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(3-bromo-4-ethoxyphenyl)-2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-bromo-4-ethoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-[(1-ethylpyrrolidin-2-yl)methyl]amine Formula: C25H38BrN7O MolecularWeight: 532.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC)Br

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC)Br

InChI

InChI=1S/C25H38BrN7O/c1-3-33-15-9-12-20(33)17-27-23-30-24(28-18-10-7-5-6-8-11-18)32-25(31-23)29-19-13-14-22(34-4-2)21(26)16-19/h13-14,16,18,20H,3-12,15,17H2,1-2H3,(H3,27,28,29,30,31,32)