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

Systemtic Name: 3-[4-(3-azanylpyridin-2-yl)butylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-(3-amino-2-pyridyl)butylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(3-amino-2-pyridinyl)butylamino]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(3-aminopyridin-2-yl)butylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(3-amino-2-pyridyl)butylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCCCC3=C(C=CC=N3)N

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCCCC3=C(C=CC=N3)N

InChI

InChI=1S/C18H21N7O/c19-14-6-4-10-21-15(14)7-1-2-9-22-18-23-17(26)16(24-25-18)11-13-5-3-8-20-12-13/h3-6,8,10,12H,1-2,7,9,11,19H2,(H2,22,23,25,26)