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Molecule : B6Q

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C24H28N6O2S/c1-3-20(31)26-18-6-4-5-16(15-18)21(32)22-23(25)28-24(33-22)27-17-7-9-19(10-8-17)30-13-11-29(2)12-14-30/h4-10,15H,3,11-14,25H2,1-2H3,(H,26,31)(H,27,28)
2	InChIKey	InChI	1.03	FUGOPQDNOXXECF-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)N4CCN(C)CC4)nc2N
4	SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N
5	Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)N4CCN(C)CC4)nc2N
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N