N6-[(3-bromanyl-4-methoxy-phenyl)methyl]-N4-cycloheptyl-N2-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N6-[(3-bromanyl-4-methoxy-phenyl)methyl]-N4-cycloheptyl-N2-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-[(3-bromo-4-methoxy-phenyl)methyl]-N4-cycloheptyl-N2-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-[(3-bromo-4-methoxyphenyl)methyl]-N4-cycloheptyl-N2-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-[(3-bromo-4-methoxyphenyl)methyl]-4-N-cycloheptyl-2-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: (3-bromo-4-methoxy-benzyl)-[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-s-triazin-2-yl]amine Formula: C25H38BrN7O MolecularWeight: 532.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NCC3=CC(=C(C=C3)OC)Br)NC4CCCCCC4

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NCC3=CC(=C(C=C3)OC)Br)NC4CCCCCC4

InChI

InChI=1S/C25H38BrN7O/c1-3-20(21-11-8-14-27-21)30-25-32-23(28-16-17-12-13-22(34-2)19(26)15-17)31-24(33-25)29-18-9-6-4-5-7-10-18/h12-13,15,18,20-21,27H,3-11,14,16H2,1-2H3,(H3,28,29,30,31,32,33)