2-butylsulfanyl-5-chloranyl-pyrimidine-4-carboxylate

Systemtic Name: 2-butylsulfanyl-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: 2-butylsulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 2-(butylthio)-5-chloro-4-pyrimidinecarboxylate IUPAC Name: 2-butylsulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(butylthio)-5-chloro-pyrimidine-4-carboxylate Formula: C9H10ClN2O2S- MolecularWeight: 245.7059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C(=N1)C(=O)[O-])Cl

Isomeric SMILES

CCCCSC1=NC=C(C(=N1)C(=O)[O-])Cl

InChI

InChI=1S/C9H11ClN2O2S/c1-2-3-4-15-9-11-5-6(10)7(12-9)8(13)14/h5H,2-4H2,1H3,(H,13,14)/p-1