5-chloranyl-2-(pyridin-4-ylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-(pyridin-4-ylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-(4-pyridylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(pyridin-4-ylmethylthio)-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-(pyridin-4-ylmethylsulfanyl)pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-pyridylmethylthio)pyrimidine-4-carboxylate Formula: C11H7ClN3O2S- MolecularWeight: 280.71018

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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)/p-1