5-chloranyl-2-propylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-propylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-propylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(propylthio)-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-propylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(propylthio)pyrimidine-4-carboxylate Formula: C8H8ClN2O2S- MolecularWeight: 231.67932

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)[O-])Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)[O-])Cl

InChI

InChI=1S/C8H9ClN2O2S/c1-2-3-14-8-10-4-5(9)6(11-8)7(12)13/h4H,2-3H2,1H3,(H,12,13)/p-1