Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : F1E    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24)
2 InChIKey InChI 1.03 GPGRCPHGBRLBEI-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2
4 SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C
5 Canonical SMILES CACTVS 3.385 CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C