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Molecule : IV6

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18)
2	InChIKey	InChI	1.06	WLQURJOXOHISNV-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(nc(n1)Cl)n(cn2)c3cccc(c3)C(=O)O
5	Canonical SMILES	CACTVS	3.385	CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(nc(n1)Cl)n(cn2)c3cccc(c3)C(=O)O