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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CN=CC=C1CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

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