5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-pyrimidin-4-olate Formula: C18H19ClFN2O2S- MolecularWeight: 381.872063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)C(C)(C)C)[O-])CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)C(C)(C)C)[O-])CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H20ClFN2O2S/c1-10-11(8-12-13(19)6-5-7-14(12)20)16(24)22-17(21-10)25-9-15(23)18(2,3)4/h5-7H,8-9H2,1-4H3,(H,21,22,24)/p-1