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Molecule : 2KU

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
2	InChIKey	InChI	1.03	BUGJFSHIPBSLKT-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	n2c1c(ncn1)c(nc2)NCCCOC
4	SMILES	CACTVS	3.370	COCCCNc1ncnc2[nH]cnc12
5	SMILES	OpenEye OEToolkits	1.7.0	COCCCNc1c2c([nH]cn2)ncn1
6	Canonical SMILES	CACTVS	3.370	COCCCNc1ncnc2[nH]cnc12
7	Canonical SMILES	OpenEye OEToolkits	1.7.0	COCCCNc1c2c([nH]cn2)ncn1