1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,4,7,10-tetrazacyclododecane CAS Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1-(4,6-dimethoxy-s-triazin-2-yl)-1,4,7,10-tetrazacyclododecane Formula: C13H25N7O2 MolecularWeight: 311.3833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)N2CCNCCNCCNCC2)OC

Isomeric SMILES

COC1=NC(=NC(=N1)N2CCNCCNCCNCC2)OC

InChI

InChI=1S/C13H25N7O2/c1-21-12-17-11(18-13(19-12)22-2)20-9-7-15-5-3-14-4-6-16-8-10-20/h14-16H,3-10H2,1-2H3