Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ATZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
2 InChIKey InChI 1.03 MXWJVTOOROXGIU-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Clc1nc(nc(n1)NC(C)C)NCC
4 SMILES CACTVS 3.341 CCNc1nc(Cl)nc(NC(C)C)n1
5 SMILES OpenEye OEToolkits 1.5.0 CCNc1nc(nc(n1)Cl)NC(C)C
6 Canonical SMILES CACTVS 3.341 CCNc1nc(Cl)nc(NC(C)C)n1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CCNc1nc(nc(n1)Cl)NC(C)C