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

Systemtic Name: 2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Br

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=C(C=CC=N3)Br

InChI

InChI=1S/C19H20BrN5OS/c1-13-4-5-14(10-23-13)9-15-11-24-19(25-18(15)26)22-7-8-27-12-17-16(20)3-2-6-21-17/h2-6,10-11H,7-9,12H2,1H3,(H2,22,24,25,26)