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

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-2-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]-5-m-anisyl-1H-pyrimidin-6-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)O

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)O

InChI

InChI=1S/C20H22N4O3S/c1-27-16-5-2-4-14(11-16)10-15-12-23-20(24-19(15)26)22-8-9-28-13-17-18(25)6-3-7-21-17/h2-7,11-12,25H,8-10,13H2,1H3,(H2,22,23,24,26)