3-[4-(1H-imidazol-5-yl)butylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-(1H-imidazol-5-yl)butylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-(1H-imidazol-5-yl)butylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(1H-imidazol-5-yl)butylamino]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(1H-imidazol-5-yl)butylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(1H-imidazol-5-yl)butylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C16H19N7O MolecularWeight: 325.36836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCCCC3=CN=CN3

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCCCC3=CN=CN3

InChI

InChI=1S/C16H19N7O/c24-15-14(8-12-4-3-6-17-9-12)22-23-16(21-15)19-7-2-1-5-13-10-18-11-20-13/h3-4,6,9-11H,1-2,5,7-8H2,(H,18,20)(H2,19,21,23,24)