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

Systemtic Name: 2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-[(5,6-dimethylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]-5-[(5,6-dimethyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]-5-[(5,6-dimethyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-[(5,6-dimethylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-5-[(5,6-dimethyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5OS/c1-13-8-15(10-24-14(13)2)9-16-11-25-20(26-19(16)27)23-6-7-28-12-18-17(21)4-3-5-22-18/h3-5,8,10-11H,6-7,9,12H2,1-2H3,(H2,23,25,26,27)