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Molecule : J0C

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H17N7O/c1-2-3-4-14(20-21-14)5-6-16-7-9-8-17-11-10(9)12(22)19-13(15)18-11/h1,8,16H,3-7H2,(H4,15,17,18,19,22)
2	InChIKey	InChI	1.03	XAJHFEIBEFHTRZ-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]c2N1
4	SMILES	OpenEye OEToolkits	2.0.7	C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N
5	Canonical SMILES	CACTVS	3.385	NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]c2N1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N