Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : YDG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C7H11N3O/c1-9(2)7(11)6-10-5-3-4-8-10/h3-5H,6H2,1-2H3
2 InChIKey InChI 1.06 HTIDWWCOZGRQRN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(Cn1cccn1)N(C)C
4 SMILES CACTVS 3.385 CN(C)C(=O)Cn1cccn1
5 SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)Cn1cccn1
6 Canonical SMILES CACTVS 3.385 CN(C)C(=O)Cn1cccn1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)Cn1cccn1