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Molecule : KM2

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1
2	InChIKey	InChI	1.03	ZAZAVGHCOORPKF-ZETCQYMHSA-N
3	SMILES	CACTVS	3.385	C[CH](CN)Nc1cccc2cc(sc12)C(N)=N
4	SMILES	OpenEye OEToolkits	2.0.7	CC(CN)Nc1cccc2c1sc(c2)C(=N)N
5	Canonical SMILES	CACTVS	3.385	C[C@@H](CN)Nc1cccc2cc(sc12)C(N)=N
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N