Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : XZ6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3
2 InChIKey InChI 1.06 SALJLBCFMZAZLL-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1csc2N=C(CO)CC(=O)[n]12
4 SMILES OpenEye OEToolkits 2.0.7 CC1=CSC2=[N]1C(=O)CC(=N2)CO
5 Canonical SMILES CACTVS 3.385 Cc1csc2N=C(CO)CC(=O)[n]12
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CC1=CSC2=[N]1C(=O)CC(=N2)CO