3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

Systemtic Name: 3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one Openeye Name: 3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one CAS Name: 3-[[4-(1-azepanyl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one IUPAC Name: 3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one Traditional Name: 3-[[4-(azepan-1-yl)-6-(methylamino)-s-triazin-2-yl]oxy]-1H-pyridazin-6-one Formula: C14H19N7O2 MolecularWeight: 317.34636

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)N2CCCCCC2)OC3=NNC(=O)C=C3

Isomeric SMILES

CNC1=NC(=NC(=N1)N2CCCCCC2)OC3=NNC(=O)C=C3

InChI

InChI=1S/C14H19N7O2/c1-15-12-16-13(21-8-4-2-3-5-9-21)18-14(17-12)23-11-7-6-10(22)19-20-11/h6-7H,2-5,8-9H2,1H3,(H,19,22)(H,15,16,17,18)