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

Systemtic Name: 5-phenylmethoxy-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-(isothiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-(3-isothiazolylmethylthio)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 5-phenylmethoxy-2-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-(isothiazol-3-ylmethylthio)ethylamino]-1H-pyrimidin-6-one Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=NSC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=NSC=C3

InChI

InChI=1S/C17H18N4O2S2/c22-16-15(23-11-13-4-2-1-3-5-13)10-19-17(20-16)18-7-9-24-12-14-6-8-25-21-14/h1-6,8,10H,7,9,11-12H2,(H2,18,19,20,22)