5-[(4-methoxyphenyl)methyl]-2-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-1H-pyrimidine-6-thione

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-2-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-1H-pyrimidine-6-thione Openeye Name: 2-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione CAS Name: 2-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione IUPAC Name: 2-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione Traditional Name: 2-[2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]-5-p-anisyl-1H-pyrimidine-6-thione Formula: C20H22N4O2S2 MolecularWeight: 414.54428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CN=C(NC2=S)NCCSCC3=C(C=CC=N3)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CN=C(NC2=S)NCCSCC3=C(C=CC=N3)O

InChI

InChI=1S/C20H22N4O2S2/c1-26-16-6-4-14(5-7-16)11-15-12-23-20(24-19(15)27)22-9-10-28-13-17-18(25)3-2-8-21-17/h2-8,12,25H,9-11,13H2,1H3,(H2,22,23,24,27)