2-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H14ClFN3O2S- MolecularWeight: 354.806963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)F)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)F)Cl)[O-]

InChI

InChI=1S/C15H15ClFN3O2S/c1-2-3-9-7-13(21)20-15(19-9)23-8-14(22)18-10-4-5-12(17)11(16)6-10/h4-7H,2-3,8H2,1H3,(H,18,22)(H,19,20,21)/p-1