Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : VZS    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
2 InChIKey InChI 1.03 WMVVWYCMGLIOCC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
4 SMILES CACTVS 3.385 COc1ccc(C)cc1NC(=O)Nn2cnnc2
5 SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC
6 Canonical SMILES CACTVS 3.385 COc1ccc(C)cc1NC(=O)Nn2cnnc2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC