Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MY6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
2 InChIKey InChI 1.03 FZWGECJQACGGTI-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1c2c(N=C(N1)N)ncn2C
4 SMILES CACTVS 3.370 Cn1cnc2N=C(N)NC(=O)c12
5 SMILES OpenEye OEToolkits 1.7.0 Cn1cnc2c1C(=O)NC(=N2)N
6 Canonical SMILES CACTVS 3.370 Cn1cnc2N=C(N)NC(=O)c12
7 Canonical SMILES OpenEye OEToolkits 1.7.0 Cn1cnc2c1C(=O)NC(=N2)N