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Molecule : FHX

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
2	InChIKey	InChI	1.03	LOWWYYZBZNSPDT-ZBEGNZNMSA-N
3	SMILES	CACTVS	3.385	C[CH]1CN(C(=O)CC#N)[C]12CCN(C2)c3ncnc4[nH]ccc34
4	SMILES	OpenEye OEToolkits	2.0.7	CC1CN(C12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N
5	Canonical SMILES	CACTVS	3.385	C[C@H]1CN(C(=O)CC#N)[C@]12CCN(C2)c3ncnc4[nH]ccc34
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N