Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 78Y    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
2 InChIKey InChI 1.03 IHPOVUXVIZRYAC-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1nn(nc1C(N)=O)c2ccccc2
4 SMILES OpenEye OEToolkits 2.0.5 Cc1c(nn(n1)c2ccccc2)C(=O)N
5 Canonical SMILES CACTVS 3.385 Cc1nn(nc1C(N)=O)c2ccccc2
6 Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1c(nn(n1)c2ccccc2)C(=O)N