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 : 7GD

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
2	InChIKey	InChI	1.03	SGFFXIGIHATQNC-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	c1c(cccc1)Cc2cc(nc3c2nnn3)N
4	SMILES	CACTVS	3.385	Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
5	SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N
6	Canonical SMILES	CACTVS	3.385	Nc1cc(Cc2ccccc2)c3[nH]nnc3n1
7	Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N