Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : HMH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)
2 InChIKey InChI 1.03 VUTBELPREDJDDH-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 n1c(N)c(cnc1C)CO
4 SMILES CACTVS 3.341 Cc1ncc(CO)c(N)n1
5 SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)CO
6 Canonical SMILES CACTVS 3.341 Cc1ncc(CO)c(N)n1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)CO