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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one trihydrobromide Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one trihydrobromide CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one trihydrobromide IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one trihydrobromide Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one trihydrobromide Formula: C18H25Br3N6OS MolecularWeight: 613.2077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=C(NC=N3)C.Br.Br.Br

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=C(NC=N3)C.Br.Br.Br

InChI

InChI=1S/C18H22N6OS.3BrH/c1-12-3-4-14(8-20-12)7-15-9-21-18(24-17(15)25)19-5-6-26-10-16-13(2)22-11-23-16;;;/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,22,23)(H2,19,21,24,25);3*1H