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 : EW5

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27)
2	InChIKey	InChI	1.03	IOZGCMLGYOLKER-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4
4	SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4
5	Canonical SMILES	CACTVS	3.385	O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4