Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0OX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H14N4O2/c11-8-7(9(12)15)5-13-10(14-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,15)(H2,11,13,14)
2 InChIKey InChI 1.03 YTVJKSRJMDSHEP-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(c2cnc(OC1CCCC1)nc2N)N
4 SMILES CACTVS 3.370 NC(=O)c1cnc(OC2CCCC2)nc1N
5 SMILES OpenEye OEToolkits 1.7.6 c1c(c(nc(n1)OC2CCCC2)N)C(=O)N
6 Canonical SMILES CACTVS 3.370 NC(=O)c1cnc(OC2CCCC2)nc1N
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(c(nc(n1)OC2CCCC2)N)C(=O)N