Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 8HX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
2 InChIKey InChI 1.03 LEHOTFFKMJEONL-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C2c1nc(O)nc1NC(=O)N2
4 SMILES CACTVS 3.385 Oc1[nH]c2NC(=O)NC(=O)c2n1
5 SMILES OpenEye OEToolkits 1.7.6 c12c([nH]c(n1)O)NC(=O)NC2=O
6 Canonical SMILES CACTVS 3.385 Oc1[nH]c2NC(=O)NC(=O)c2n1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c12c([nH]c(n1)O)NC(=O)NC2=O