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Molecule : HWQ

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3
2	InChIKey	InChI	1.03	ZZVMFUZVPCVUGH-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3
4	SMILES	OpenEye OEToolkits	2.0.6	CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3
5	Canonical SMILES	CACTVS	3.385	CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3