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

Systemtic Name: 2-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)O

InChI

InChI=1S/C18H19N5O2S/c24-16-4-2-6-20-15(16)12-26-8-7-21-18-22-11-14(17(25)23-18)9-13-3-1-5-19-10-13/h1-6,10-11,24H,7-9,12H2,(H2,21,22,23,25)