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Molecule : TUE

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C17H16N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10H,1,8,11H2,(H2,18,21)
2	InChIKey	InChI	1.03	JWSPKIZRSASLMF-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1
4	SMILES	OpenEye OEToolkits	1.7.6	C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N
5	Canonical SMILES	CACTVS	3.385	Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1
6	Canonical SMILES	OpenEye OEToolkits	1.7.6	C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N