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Molecule : W7S

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
2	InChIKey	InChI	1.03	LCEYIUAAVRLLIN-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	c2c(CNC(c1cnccn1)=O)cccc2
4	SMILES	CACTVS	3.385	O=C(NCc1ccccc1)c2cnccn2
5	SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNC(=O)c2cnccn2
6	Canonical SMILES	CACTVS	3.385	O=C(NCc1ccccc1)c2cnccn2
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNC(=O)c2cnccn2