Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 6GU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
2 InChIKey InChI 1.03 RYYIULNRIVUMTQ-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Clc2nc(nc1c2ncn1)N
4 SMILES CACTVS 3.341 Nc1nc(Cl)c2nc[nH]c2n1
5 SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(nc(n2)N)Cl
6 Canonical SMILES CACTVS 3.341 Nc1nc(Cl)c2nc[nH]c2n1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]c2c(n1)c(nc(n2)N)Cl