4-(azepan-1-yl)-N-methyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-methyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine Openeye Name: 4-(azepan-1-yl)-6-(6-benzyloxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine CAS Name: 4-(1-azepanyl)-N-methyl-6-[(6-phenylmethoxy-3-pyridazinyl)oxy]-1,3,5-triazin-2-amine IUPAC Name: 4-(azepan-1-yl)-N-methyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazin-2-amine Traditional Name: [4-(azepan-1-yl)-6-(6-benzoxypyridazin-3-yl)oxy-s-triazin-2-yl]-methyl-amine Formula: C21H25N7O2 MolecularWeight: 407.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)N2CCCCCC2)OC3=NN=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CNC1=NC(=NC(=N1)N2CCCCCC2)OC3=NN=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H25N7O2/c1-22-19-23-20(28-13-7-2-3-8-14-28)25-21(24-19)30-18-12-11-17(26-27-18)29-15-16-9-5-4-6-10-16/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,22,23,24,25)