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Molecule : B6B

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C17H15N5O2/c1-24-14-5-4-11(18)7-12(14)13-9-21-17(19)15(22-13)16(23)10-3-2-6-20-8-10/h2-9H,18H2,1H3,(H2,19,21)
2	InChIKey	InChI	1.03	WJYWQSXTQZIHBX-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	COc1ccc(N)cc1c2cnc(N)c(n2)C(=O)c3cccnc3
4	SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N
5	Canonical SMILES	CACTVS	3.385	COc1ccc(N)cc1c2cnc(N)c(n2)C(=O)c3cccnc3
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N