Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : BZE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
2 InChIKey InChI 1.03 GZVHEAJQGPRDLQ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n1c(nc(nc1c2ccccc2)N)N
4 SMILES CACTVS 3.370 Nc1nc(N)nc(n1)c2ccccc2
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2nc(nc(n2)N)N
6 Canonical SMILES CACTVS 3.370 Nc1nc(N)nc(n1)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2nc(nc(n2)N)N