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

Systemtic Name: 2-[2-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2-hydroxy-anilino)-2-oxo-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]thio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2-hydroxy-anilino)-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C14H13ClN3O3S- MolecularWeight: 338.78932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)Cl)O)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)Cl)O)[O-]

InChI

InChI=1S/C14H14ClN3O3S/c1-2-9-6-12(20)18-14(16-9)22-7-13(21)17-10-5-8(15)3-4-11(10)19/h3-6,19H,2,7H2,1H3,(H,17,21)(H,16,18,20)/p-1