2-[2-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(4-bromanyl-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(4-bromoisothiazol-3-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-3-isothiazolyl)methylthio]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]ethylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-bromoisothiazol-3-yl)methylthio]ethylamino]-5-p-anisyl-1H-pyrimidin-6-one Formula: C18H19BrN4O2S2 MolecularWeight: 467.40306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=NSC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=NSC=C3Br

InChI

InChI=1S/C18H19BrN4O2S2/c1-25-14-4-2-12(3-5-14)8-13-9-21-18(22-17(13)24)20-6-7-26-11-16-15(19)10-27-23-16/h2-5,9-10H,6-8,11H2,1H3,(H2,20,21,22,24)