Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2IM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
2 InChIKey InChI 1.03 DHGUMNJVFYRSIG-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 [N@H]=C1NCCCC1
4 SMILES CACTVS 3.341 N=C1CCCCN1
5 SMILES OpenEye OEToolkits 1.5.0 C1CCNC(=N)C1
6 Canonical SMILES CACTVS 3.341 N=C1CCCCN1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCNC(=N)C1