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Molecule : 6SI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1
2	InChIKey	InChI	1.03	SIHVOGFUBUCGRF-HVIDBACLSA-O
3	SMILES	CACTVS	3.385	N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1
4	SMILES	OpenEye OEToolkits	2.0.7	C1CN(Cc2c1nc(s2)NC(=O)C3CCN(C3)C=N)C(=O)CN[NH2+]N
5	Canonical SMILES	CACTVS	3.385	N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[C@H]3CCN(C3)C=N)sc2C1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C/N1CC[C@@H](C1)C(=O)Nc2nc3c(s2)CN(CC3)C(=O)CN[NH2+]N