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Molecule : T90

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C20H21N3O2S/c1-14(24)17-9-10-19(25-3)18(11-17)13-26-20-22-21-15(2)23(20)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
2	InChIKey	InChI	1.03	GBQPKTFARABQAW-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O
4	SMILES	OpenEye OEToolkits	2.0.5	Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C
5	Canonical SMILES	CACTVS	3.385	COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.5	Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C