2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrobromide

Systemtic Name: 2-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrobromide Openeye Name: 2-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one trihydrobromide CAS Name: 2-[2-[(3-bromo-2-pyridinyl)methylthio]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrobromide IUPAC Name: 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrobromide Traditional Name: 2-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one trihydrobromide Formula: C18H21Br4N5OS MolecularWeight: 675.07324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Br.Br.Br.Br

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Br.Br.Br.Br

InChI

InChI=1S/C18H18BrN5OS.3BrH/c19-15-2-1-5-21-16(15)12-26-9-8-22-18-23-11-14(17(25)24-18)10-13-3-6-20-7-4-13;;;/h1-7,11H,8-10,12H2,(H2,22,23,24,25);3*1H