Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : G2U    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22)
2 InChIKey InChI 1.06 XGIZTMPAAINKGM-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
4 SMILES OpenEye OEToolkits 2.0.7 Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C
5 Canonical SMILES CACTVS 3.385 CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C