Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KXH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H19Cl2N3O2/c1-2-23-16(22)12-10-21(8-4-3-7-19)20-15(12)11-5-6-13(17)14(18)9-11/h5-6,9-10H,2-4,7-8,19H2,1H3
2 InChIKey InChI 1.03 XOCDXRVHDVXMSJ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2
4 SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN
5 Canonical SMILES CACTVS 3.385 CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN