Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : HLZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
2 InChIKey InChI 1.03 RPTUSVTUFVMDQK-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2nc(c1ccccc1c2)NN
4 SMILES CACTVS 3.370 NNc1nncc2ccccc12
5 SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)cnnc2NN
6 Canonical SMILES CACTVS 3.370 NNc1nncc2ccccc12
7 Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)cnnc2NN