2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-1H-pyrimidin-6-one Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=CN=CN3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=CN=CN3

InChI

InChI=1S/C17H19N5O2S/c23-16-15(24-10-13-4-2-1-3-5-13)9-20-17(22-16)19-6-7-25-11-14-8-18-12-21-14/h1-5,8-9,12H,6-7,10-11H2,(H,18,21)(H2,19,20,22,23)