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

Systemtic Name: 2-[2-[(5-methyl-2-oxidanyl-phenyl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(2-hydroxy-5-methyl-phenyl)methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(2-hydroxy-5-methylphenyl)methylthio]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(2-hydroxy-5-methylphenyl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(2-hydroxy-5-methyl-benzyl)thio]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)CSCCNC2=NC=C(C(=O)N2)CC3=CN=C(C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)CSCCNC2=NC=C(C(=O)N2)CC3=CN=C(C=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-14-3-6-19(26)18(9-14)13-28-8-7-22-21-24-12-17(20(27)25-21)10-16-5-4-15(2)23-11-16/h3-6,9,11-12,26H,7-8,10,13H2,1-2H3,(H2,22,24,25,27)