Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : HH5    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H4IN5/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 CQYPNVKLVHHOSJ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Nc1nc(I)c2[nH]cnc2n1
4 SMILES OpenEye OEToolkits 2.0.6 c1[nH]c2c(n1)nc(nc2I)N
5 Canonical SMILES CACTVS 3.385 Nc1nc(I)c2[nH]cnc2n1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1[nH]c2c(n1)nc(nc2I)N