Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 8HH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H13N5/c1-2-15-13-8-11(10-4-3-6-14-9-10)17-12-5-7-16-18(12)13/h3-9,15H,2H2,1H3
2 InChIKey InChI 1.03 BFTHMXHAOYUDNL-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCNc1cc(nc2ccnn12)c3cccnc3
4 SMILES OpenEye OEToolkits 2.0.6 CCNc1cc(nc2n1ncc2)c3cccnc3
5 Canonical SMILES CACTVS 3.385 CCNc1cc(nc2ccnn12)c3cccnc3
6 Canonical SMILES OpenEye OEToolkits 2.0.6 CCNc1cc(nc2n1ncc2)c3cccnc3