5-(pyridin-3-ylmethyl)-2-[2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-(3-pyridylmethyl)-2-[2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 5-(3-pyridinylmethyl)-2-[2-(1,2,5-thiadiazol-3-ylmethylthio)ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-pyridylmethyl)-2-[2-(1,2,5-thiadiazol-3-ylmethylthio)ethylamino]-1H-pyrimidin-6-one Formula: C15H16N6OS2 MolecularWeight: 360.45714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NSN=C3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NSN=C3

InChI

InChI=1S/C15H16N6OS2/c22-14-12(6-11-2-1-3-16-7-11)8-18-15(20-14)17-4-5-23-10-13-9-19-24-21-13/h1-3,7-9H,4-6,10H2,(H2,17,18,20,22)