2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C13H13ClN3OS- MolecularWeight: 294.77982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CN=C(C=C2)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CN=C(C=C2)Cl)[O-]

InChI

InChI=1S/C13H14ClN3OS/c1-2-3-10-6-12(18)17-13(16-10)19-8-9-4-5-11(14)15-7-9/h4-7H,2-3,8H2,1H3,(H,16,17,18)/p-1