Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : V3O    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21)
2 InChIKey InChI 1.06 XDADMRNUKRNNLA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1
4 SMILES CACTVS 3.385 CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2
5 SMILES OpenEye OEToolkits 2.0.7 Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl
6 Canonical SMILES CACTVS 3.385 CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl)cc3)n2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)Cl