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Molecule : HKM

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
2	InChIKey	InChI	1.03	KPJJEXKLZAXHEE-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3
4	SMILES	CACTVS	3.385	Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1
5	SMILES	OpenEye OEToolkits	2.0.6	Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N
6	Canonical SMILES	CACTVS	3.385	Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1
7	Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N