5-chloranyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-(3-pyridylmethylsulfanyl)pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-(3-pyridinylmethylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-(3-pyridylmethylthio)pyrimidine-4-carboxylic acid Formula: C11H8ClN3O2S MolecularWeight: 281.71812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClN3O2S/c12-8-5-14-11(15-9(8)10(16)17)18-6-7-2-1-3-13-4-7/h1-5H,6H2,(H,16,17)