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

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[3-(1,2-thiazol-3-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one Openeye Name: 2-[3-(isothiazol-3-ylmethylsulfanyl)propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-(3-isothiazolylmethylthio)propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[3-(1,2-thiazol-3-ylmethylsulfanyl)propylamino]-1H-pyrimidin-6-one Traditional Name: 2-[3-(isothiazol-3-ylmethylthio)propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H19N5OS2 MolecularWeight: 373.49566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=NSC=C3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=NSC=C3

InChI

InChI=1S/C17H19N5OS2/c23-16-14(9-13-3-1-5-18-10-13)11-20-17(21-16)19-6-2-7-24-12-15-4-8-25-22-15/h1,3-5,8,10-11H,2,6-7,9,12H2,(H2,19,20,21,23)