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Molecule : CJ9

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H19N5/c13-12-15-10(14-9-4-5-9)8-11(16-12)17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16)
2	InChIKey	InChI	1.03	KEJKDPAZBYTTRQ-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)N3CCCCC3
4	SMILES	OpenEye OEToolkits	2.0.6	c1c(nc(nc1N2CCCCC2)N)NC3CC3
5	Canonical SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)N3CCCCC3
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(nc(nc1N2CCCCC2)N)NC3CC3