Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0FU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)
2 InChIKey InChI 1.03 SYEYEGBZVSWYPK-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n1c(N)c(N)c(O)nc1N
4 SMILES CACTVS 3.370 Nc1nc(N)c(N)c(O)n1
5 SMILES OpenEye OEToolkits 1.7.6 c1(c(nc(nc1O)N)N)N
6 Canonical SMILES CACTVS 3.370 Nc1nc(N)c(N)c(O)n1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1(c(nc(nc1O)N)N)N