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 : EYE

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C21H22N2S/c1-4-23-19-9-6-15(13-22-3)11-18(19)17-8-7-16(12-20(17)23)21-10-5-14(2)24-21/h5-12,22H,4,13H2,1-3H3/p+1
2	InChIKey	InChI	1.03	AYQRLKNUUZAQQN-UHFFFAOYSA-O
3	SMILES	CACTVS	3.385	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4sc(C)cc4
4	SMILES	OpenEye OEToolkits	2.0.6	CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C
5	Canonical SMILES	CACTVS	3.385	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4sc(C)cc4
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C