Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 7R8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13)
2 InChIKey InChI 1.03 ULKSSXOMKDEKPC-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 NC(=N)c1ccc2cc(O)ccc2c1
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(cc2c1cc(cc2)O)C(=N)N
5 Canonical SMILES CACTVS 3.385 NC(=N)c1ccc2cc(O)ccc2c1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\c1ccc2cc(ccc2c1)O)/N