Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0VY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H12N4O2S/c6-5(8-12(7,10)11)9-3-1-2-4-9/h1-4H2,(H2,6,8)(H2,7,10,11)
2 InChIKey InChI 1.03 RHOZLXBMABFVBY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(/N=C(\N)N1CCCC1)N
4 SMILES CACTVS 3.370 NC(=N[S](N)(=O)=O)N1CCCC1
5 SMILES OpenEye OEToolkits 1.7.6 C1CCN(C1)C(=NS(=O)(=O)N)N
6 Canonical SMILES CACTVS 3.370 NC(=N[S](N)(=O)=O)N1CCCC1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1CCN(C1)/C(=N/S(=O)(=O)N)/N