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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-2-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-1H-pyrimidine-6-thione Openeye Name: 5-[(4-methoxyphenyl)methyl]-2-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethylamino]-1H-pyrimidine-6-thione CAS Name: 5-[(4-methoxyphenyl)methyl]-2-[2-[(3-methoxy-2-pyridinyl)methylthio]ethylamino]-1H-pyrimidine-6-thione IUPAC Name: 5-[(4-methoxyphenyl)methyl]-2-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-1H-pyrimidine-6-thione Traditional Name: 2-[2-[(3-methoxy-2-pyridyl)methylthio]ethylamino]-5-p-anisyl-1H-pyrimidine-6-thione Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-26-17-7-5-15(6-8-17)12-16-13-24-21(25-20(16)28)23-10-11-29-14-18-19(27-2)4-3-9-22-18/h3-9,13H,10-12,14H2,1-2H3,(H2,23,24,25,28)