6-ethyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 6-ethyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-olate CAS Name: 6-ethyl-2-(3-pyridinylmethylthio)-4-pyrimidinolate IUPAC Name: 6-ethyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate Traditional Name: 6-ethyl-2-(3-pyridylmethylthio)pyrimidin-4-olate Formula: C12H12N3OS- MolecularWeight: 246.30818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CN=CC=C2)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CN=CC=C2)[O-]

InChI

InChI=1S/C12H13N3OS/c1-2-10-6-11(16)15-12(14-10)17-8-9-4-3-5-13-7-9/h3-7H,2,8H2,1H3,(H,14,15,16)/p-1