Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : Y8J    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
2 InChIKey InChI 1.03 QSNMFWFDOFQASV-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCCCc1cccnc1
4 SMILES OpenEye OEToolkits 2.0.7 CCCCc1cccnc1
5 Canonical SMILES CACTVS 3.385 CCCCc1cccnc1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCc1cccnc1