2-[2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2-hydroxy-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2-hydroxy-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H11ClN3O3S- MolecularWeight: 324.76274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S/c1-7-4-11(19)17-13(15-7)21-6-12(20)16-9-5-8(14)2-3-10(9)18/h2-5,18H,6H2,1H3,(H,16,20)(H,15,17,19)/p-1