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

Systemtic Name: 4-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-3-fluoranyl-benzenecarbothioamide Openeye Name: 4-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]-3-fluoro-benzenecarbothioamide CAS Name: 4-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]-3-fluorobenzenecarbothioamide IUPAC Name: 4-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3-fluorobenzenecarbothioamide Traditional Name: 3-fluoro-4-[(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=C(C=C2)C(=S)N)F)C

Isomeric SMILES

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

InChI

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