Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : S6Z    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
2 InChIKey InChI 1.03 CHNUNORXWHYHNE-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
4 SMILES OpenEye OEToolkits 2.0.7 CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C
5 Canonical SMILES CACTVS 3.385 CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C