Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 083    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 SMILES CACTVS 3.370 Cc1cc(C)nc(n1)C(N)=Nc2nc(cc3ccccc23)c4ccccn4
2 SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)C(=Nc2c3ccccc3cc(n2)c4ccccn4)N)C
3 Canonical SMILES CACTVS 3.370 Cc1cc(C)nc(n1)C(N)=Nc2nc(cc3ccccc23)c4ccccn4
4 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C