2-[(3-bromanyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(3-bromanyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(3-bromo-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(3-bromo-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(3-bromo-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(3-bromo-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylthio]-1,3-benzoxazole Formula: C14H10BrN4OS+ MolecularWeight: 362.2244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=C([N+]4=CC=CN=C4N3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=C([N+]4=CC=CN=C4N3)Br

InChI

InChI=1S/C14H9BrN4OS/c15-12-10(17-13-16-6-3-7-19(12)13)8-21-14-18-9-4-1-2-5-11(9)20-14/h1-7H,8H2/p+1