Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : RZK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3
2 InChIKey InChI 1.03 FHPKDNRSYHKLSG-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc(cc1)c2nnn(CCN)n2
4 SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2nnn(n2)CCN
5 Canonical SMILES CACTVS 3.385 COc1ccc(cc1)c2nnn(CCN)n2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2nnn(n2)CCN