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

Systemtic Name: 2-[2-[(2-methylphenyl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[2-(o-tolylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(2-methylphenyl)methylthio]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(2-methylphenyl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(2-methylbenzyl)thio]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CC=C3C

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CC=C3C

InChI

InChI=1S/C21H24N4OS/c1-15-5-3-4-6-18(15)14-27-10-9-22-21-24-13-19(20(26)25-21)11-17-8-7-16(2)23-12-17/h3-8,12-13H,9-11,14H2,1-2H3,(H2,22,24,25,26)