6-ethyl-2-phenethylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-phenethylsulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-phenethylsulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-(phenethylthio)-4-pyrimidinolate IUPAC Name: 6-ethyl-2-phenethylsulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-(phenethylthio)pyrimidin-4-olate Formula: C14H15N2OS- MolecularWeight: 259.3467

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H16N2OS/c1-2-12-10-13(17)16-14(15-12)18-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,15,16,17)/p-1