2-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C12H10BrN4O2S- MolecularWeight: 354.2024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(C=C2)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(C=C2)Br)[O-]

InChI

InChI=1S/C12H11BrN4O2S/c1-7-4-10(18)17-12(15-7)20-6-11(19)16-9-3-2-8(13)5-14-9/h2-5H,6H2,1H3,(H,14,16,19)(H,15,17,18)/p-1