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

Systemtic Name: 2-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione Openeye Name: 2-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione CAS Name: 2-[2-[(3-chloro-2-pyridinyl)methylthio]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione IUPAC Name: 2-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-6-thione Traditional Name: 2-[2-[(3-chloro-2-pyridyl)methylthio]ethylamino]-5-p-anisyl-1H-pyrimidine-6-thione Formula: C20H21ClN4OS2 MolecularWeight: 432.98994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS2/c1-26-16-6-4-14(5-7-16)11-15-12-24-20(25-19(15)27)23-9-10-28-13-18-17(21)3-2-8-22-18/h2-8,12H,9-11,13H2,1H3,(H2,23,24,25,27)