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

Systemtic Name: 5-phenethyl-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-phenethyl-2-[2-(thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 5-phenethyl-2-[2-(2-thiazolylmethylthio)ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-phenethyl-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-phenethyl-2-[2-(thiazol-2-ylmethylthio)ethylamino]-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=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NC=CS3

InChI

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