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Molecule : 30I

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C17H23N9O2/c1-28-17-21-8-10(9-22-17)11-14(26-6-4-2-3-5-7-26)24-13(18)12(23-11)15(27)25-16(19)20/h8-9H,2-7H2,1H3,(H2,18,24)(H4,19,20,25,27)
2	InChIKey	InChI	1.03	WREBDSFOSWCPIS-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	COc1ncc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N
4	SMILES	OpenEye OEToolkits	2.0.6	COc1ncc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3
5	Canonical SMILES	CACTVS	3.385	COc1ncc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N