5-chloranyl-2-phenethylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-phenethylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-phenethylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenethylthio)-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-phenethylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(phenethylthio)pyrimidine-4-carboxylate Formula: C13H10ClN2O2S- MolecularWeight: 293.7487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O2S/c14-10-8-15-13(16-11(10)12(17)18)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)/p-1