6-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-olate

Systemtic Name: 6-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-olate Openeye Name: 6-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-olate CAS Name: 6-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]-3-pyridazinolate IUPAC Name: 6-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-olate Traditional Name: 6-[[4-(tert-butylamino)-6-(ethylamino)-s-triazin-2-yl]oxy]pyridazin-3-olate Formula: C13H18N7O2- MolecularWeight: 304.32772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)OC2=NN=C(C=C2)[O-])NC(C)(C)C

Isomeric SMILES

CCNC1=NC(=NC(=N1)OC2=NN=C(C=C2)[O-])NC(C)(C)C

InChI

InChI=1S/C13H19N7O2/c1-5-14-10-15-11(18-13(2,3)4)17-12(16-10)22-9-7-6-8(21)19-20-9/h6-7H,5H2,1-4H3,(H,19,21)(H2,14,15,16,17,18)/p-1