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

Systemtic Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-[2-[(2-methoxyphenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(5,6-dimethyl-3-pyridyl)methyl]-2-[2-[(2-methoxyphenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-[(5,6-dimethyl-3-pyridinyl)methyl]-2-[2-[(2-methoxyphenyl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(5,6-dimethylpyridin-3-yl)methyl]-2-[2-[(2-methoxyphenyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(5,6-dimethyl-3-pyridyl)methyl]-2-[2-(o-anisylthio)ethylamino]-1H-pyrimidin-6-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-15-10-17(12-24-16(15)2)11-19-13-25-22(26-21(19)27)23-8-9-29-14-18-6-4-5-7-20(18)28-3/h4-7,10,12-13H,8-9,11,14H2,1-3H3,(H2,23,25,26,27)