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 : YBU

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
2	InChIKey	InChI	1.06	YVGIABMOZOZHSD-POHAHGRESA-N
3	SMILES	CACTVS	3.385	N=Cc1oc(nn1)c2ccccc2
4	SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nnc(o2)C=N
5	Canonical SMILES	CACTVS	3.385	N=Cc1oc(nn1)c2ccccc2
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C\c1nnc(o1)c2ccccc2