Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NFM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H10N4O/c1-5-10-3-6(2-9-4-12)7(8)11-5/h3-4H,2H2,1H3,(H,9,12)(H2,8,10,11)
2 InChIKey InChI 1.03 PVWNFAGYFUUDRC-UHFFFAOYSA-N
3 SMILES ACDLabs 11.02 O=CNCc1cnc(nc1N)C
4 SMILES CACTVS 3.352 Cc1ncc(CNC=O)c(N)n1
5 SMILES OpenEye OEToolkits 1.7.0 Cc1ncc(c(n1)N)CNC=O
6 Canonical SMILES CACTVS 3.352 Cc1ncc(CNC=O)c(N)n1
7 Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1ncc(c(n1)N)CNC=O