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

Systemtic Name: 5-ethyl-6-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 5-ethyl-6-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-olate Traditional Name: 5-ethyl-6-methyl-2-(3-pyridylmethylthio)pyrimidin-4-olate Formula: C13H14N3OS- MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC2=CN=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC2=CN=CC=C2)C

InChI

InChI=1S/C13H15N3OS/c1-3-11-9(2)15-13(16-12(11)17)18-8-10-5-4-6-14-7-10/h4-7H,3,8H2,1-2H3,(H,15,16,17)/p-1