Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : WSD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H13N5O2/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7/h1-3H3,(H4,11,13,14,15,17)
2 InChIKey InChI 1.03 WLVJPLIOOQQZAE-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C2NC(=NC1=C2N=C(C(=O)C)C(N1)(C)C)N
4 SMILES CACTVS 3.385 CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O
5 SMILES OpenEye OEToolkits 1.7.6 CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N
6 Canonical SMILES CACTVS 3.385 CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N