5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylic acid Openeye Name: 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylic acid Traditional Name: 2-(benzylthio)-5-chloro-pyrimidine-4-carboxylic acid Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C12H9ClN2O2S/c13-9-6-14-12(15-10(9)11(16)17)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)