2-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)O

InChI

InChI=1S/C19H20N4O3S/c24-16-7-4-8-20-15(16)13-27-10-9-21-19-22-11-17(18(25)23-19)26-12-14-5-2-1-3-6-14/h1-8,11,24H,9-10,12-13H2,(H2,21,22,23,25)