2-(4-azanyl-2-fluoranyl-phenyl)sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(4-azanyl-2-fluoranyl-phenyl)sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-amino-2-fluorophenyl)thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-(4-amino-2-fluorophenyl)sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-amino-2-fluoro-phenyl)thio]-6-propyl-pyrimidin-4-olate Formula: C13H13FN3OS- MolecularWeight: 278.325223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC2=C(C=C(C=C2)N)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC2=C(C=C(C=C2)N)F)[O-]

InChI

InChI=1S/C13H14FN3OS/c1-2-3-9-7-12(18)17-13(16-9)19-11-5-4-8(15)6-10(11)14/h4-7H,2-3,15H2,1H3,(H,16,17,18)/p-1