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Molecule : GGU

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)
2	InChIKey	InChI	1.03	SDAWPVIWTVUTCC-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	Oc1ccccc1c1cc(c(N)nn1)c1ccccc1
4	SMILES	CACTVS	3.385	Nc1nnc(cc1c2ccccc2)c3ccccc3O
5	SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(nnc2N)c3ccccc3O
6	Canonical SMILES	CACTVS	3.385	Nc1nnc(cc1c2ccccc2)c3ccccc3O
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(nnc2N)c3ccccc3O