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

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 2-[2-(isothiazol-3-ylmethylsulfanyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-(3-isothiazolylmethylthio)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 2-[2-(isothiazol-3-ylmethylthio)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS2/c22-15-13(8-12-2-1-4-17-9-12)10-19-16(20-15)18-5-7-23-11-14-3-6-24-21-14/h1-4,6,9-10H,5,7-8,11H2,(H2,18,19,20,22)