Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : C9L

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16)
2	InChIKey	InChI	1.03	IHEKCGZMPNDSRL-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CCc1c(NC)nc(N)nc1N2CCCCC2
4	SMILES	OpenEye OEToolkits	2.0.6	CCc1c(nc(nc1N2CCCCC2)N)NC
5	Canonical SMILES	CACTVS	3.385	CCc1c(NC)nc(N)nc1N2CCCCC2
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1c(nc(nc1N2CCCCC2)N)NC