Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2AL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)
2 InChIKey InChI 1.03 MFAONEQLPARJAO-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C1C(=NC(=O)N1)NC(=O)N
4 SMILES CACTVS 3.341 NC(=O)NC1=NC(=O)NC1=O
5 SMILES OpenEye OEToolkits 1.5.0 C1(=O)C(=NC(=O)N1)NC(=O)N
6 Canonical SMILES CACTVS 3.341 NC(=O)NC1=NC(=O)NC1=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1(=O)C(=NC(=O)N1)NC(=O)N