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Molecule : RVU

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C20H20N4O3/c1-12-7-8-17(27-2)16(9-12)24-11-13(10-18(24)25)19(26)23-20-21-14-5-3-4-6-15(14)22-20/h3-9,13H,10-11H2,1-2H3,(H2,21,22,23,26)/t13-/m0/s1
2	InChIKey	InChI	1.06	XSNQFQPVHIAZMA-ZDUSSCGKSA-N
3	SMILES	CACTVS	3.385	COc1ccc(C)cc1N2C[CH](CC2=O)C(=O)Nc3[nH]c4ccccc4n3
4	SMILES	OpenEye OEToolkits	3.1.0.0	Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccccc4n3)OC
5	Canonical SMILES	CACTVS	3.385	COc1ccc(C)cc1N2C[C@H](CC2=O)C(=O)Nc3[nH]c4ccccc4n3
6	Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccccc4n3)OC