Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CGJ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H11N3O/c1-8-12-13-11-7-15-6-9-4-2-3-5-10(9)14(8)11/h2-5H,6-7H2,1H3
2 InChIKey InChI 1.03 HEEIZXCFEVISIX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C2OCc1nnc(n1c3c2cccc3)C
4 SMILES CACTVS 3.385 Cc1nnc2COCc3ccccc3n12
5 SMILES OpenEye OEToolkits 2.0.6 Cc1nnc2n1-c3ccccc3COC2
6 Canonical SMILES CACTVS 3.385 Cc1nnc2COCc3ccccc3n12
7 Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1nnc2n1-c3ccccc3COC2