Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FF3    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H4F2N4O2S2/c4-3(5,13(7,10)11)1-8-9-2(6)12-1/h(H2,6,9)(H2,7,10,11)
2 InChIKey InChI 1.03 XGFIHSGMBUMCQS-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=S(=O)(N)C(F)(F)c1nnc(s1)N
4 SMILES CACTVS 3.341 Nc1sc(nn1)C(F)(F)[S](N)(=O)=O
5 SMILES OpenEye OEToolkits 1.5.0 c1(nnc(s1)N)C(F)(F)S(=O)(=O)N
6 Canonical SMILES CACTVS 3.341 Nc1sc(nn1)C(F)(F)[S](N)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1(nnc(s1)N)C(F)(F)S(=O)(=O)N