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

Systemtic Name: 2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-m-anisyl-1H-pyrimidin-6-one Formula: C18H20BrN5O2S MolecularWeight: 450.3527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

InChI

InChI=1S/C18H20BrN5O2S/c1-26-14-4-2-3-12(8-14)7-13-9-21-18(24-17(13)25)20-5-6-27-10-15-16(19)23-11-22-15/h2-4,8-9,11H,5-7,10H2,1H3,(H,22,23)(H2,20,21,24,25)