2-[(3-bromanylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-bromanylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylthio]-6-methyl-pyrimidin-4-olate Formula: C12H9BrN5OS- MolecularWeight: 351.20176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(N3C=CC=NC3=N2)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(N3C=CC=NC3=N2)Br)[O-]

InChI

InChI=1S/C12H10BrN5OS/c1-7-5-9(19)17-12(15-7)20-6-8-10(13)18-4-2-3-14-11(18)16-8/h2-5H,6H2,1H3,(H,15,17,19)/p-1