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

Systemtic Name: 5-phenethyl-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 2-[2-(isothiazol-3-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-(3-isothiazolylmethylthio)ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 5-phenethyl-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 2-[2-(isothiazol-3-ylmethylthio)ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NSC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NSC=C3

InChI

InChI=1S/C18H20N4OS2/c23-17-15(7-6-14-4-2-1-3-5-14)12-20-18(21-17)19-9-11-24-13-16-8-10-25-22-16/h1-5,8,10,12H,6-7,9,11,13H2,(H2,19,20,21,23)