Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : S7S    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)
2 InChIKey InChI 1.03 DUUFAOAFBKVYMI-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCCC(=O)Nc1nnn(CC)n1
4 SMILES OpenEye OEToolkits 2.0.6 CCCC(=O)Nc1nnn(n1)CC
5 Canonical SMILES CACTVS 3.385 CCCC(=O)Nc1nnn(CC)n1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 CCCC(=O)Nc1nnn(n1)CC