2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-[(2-methoxypyridin-4-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-[(2-methoxypyridin-4-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]-5-[(2-methoxy-4-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]-5-[(2-methoxy-4-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(2-methoxypyridin-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-5-[(2-methoxy-4-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C19H20BrN5O2S MolecularWeight: 462.3634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O2S/c1-27-17-10-13(4-6-22-17)9-14-11-24-19(25-18(14)26)23-7-8-28-12-16-15(20)3-2-5-21-16/h2-6,10-11H,7-9,12H2,1H3,(H2,23,24,25,26)