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

Systemtic Name: 2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-(1H-imidazol-2-ylmethylthio)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-(1H-imidazol-2-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=NC=CN3

Isomeric SMILES

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

InChI

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