2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C15H13FN3OS- MolecularWeight: 302.346623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)C#N)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)C#N)F)[O-]

InChI

InChI=1S/C15H14FN3OS/c1-2-3-12-7-14(20)19-15(18-12)21-9-11-5-4-10(8-17)6-13(11)16/h4-7H,2-3,9H2,1H3,(H,18,19,20)/p-1