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

Systemtic Name: 3-[2-[(3-azanylpyridin-2-yl)methylsulfanyl]ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[(3-amino-2-pyridyl)methylsulfanyl]ethylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-[(3-amino-2-pyridinyl)methylthio]ethylamino]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[(3-aminopyridin-2-yl)methylsulfanyl]ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-[(3-amino-2-pyridyl)methylthio]ethylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C17H19N7OS MolecularWeight: 369.44406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCSCC3=C(C=CC=N3)N

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCSCC3=C(C=CC=N3)N

InChI

InChI=1S/C17H19N7OS/c18-13-4-2-6-20-15(13)11-26-8-7-21-17-22-16(25)14(23-24-17)9-12-3-1-5-19-10-12/h1-6,10H,7-9,11,18H2,(H2,21,22,24,25)