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

Systemtic Name: 2-[2-[(2-methoxyphenyl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(2-methoxyphenyl)methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(2-methoxyphenyl)methylthio]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(2-methoxyphenyl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-[(6-methyl-3-pyridyl)methyl]-2-[2-(o-anisylthio)ethylamino]-1H-pyrimidin-6-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CC=C3OC

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CC=C3OC

InChI

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