Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 5ZE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
2 InChIKey InChI 1.03 IDQNBVFPZMCDDN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n1c(cc(nc1N)C)C
4 SMILES CACTVS 3.385 Cc1cc(C)nc(N)n1
5 SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)N)C
6 Canonical SMILES CACTVS 3.385 Cc1cc(C)nc(N)n1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)N)C