3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 4-fluoro-3-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]thiobenzamide Formula: C14H14FN3OS MolecularWeight: 291.343863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=C(C=CC(=C2)C(=S)N)F)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=C(C=CC(=C2)C(=S)N)F)C

InChI

InChI=1S/C14H14FN3OS/c1-8-5-9(2)18(14(19)17-8)7-11-6-10(13(16)20)3-4-12(11)15/h3-6H,7H2,1-2H3,(H2,16,20)