2-[2-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[(4-bromoisothiazol-3-yl)methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-3-isothiazolyl)methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-bromoisothiazol-3-yl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C16H16BrN5OS2 MolecularWeight: 438.36514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NSC=C3Br

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NSC=C3Br

InChI

InChI=1S/C16H16BrN5OS2/c17-13-9-25-22-14(13)10-24-5-4-19-16-20-8-12(15(23)21-16)6-11-2-1-3-18-7-11/h1-3,7-9H,4-6,10H2,(H2,19,20,21,23)