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Molecule : W5G

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16)
2	InChIKey	InChI	1.03	GGTHBUVHAUVHID-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	n2c1nccc1c(nc2)N4CCCC3(CC3)C4
4	SMILES	CACTVS	3.385	C1CN(CC2(C1)CC2)c3ncnc4[nH]ccc34
5	SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4
6	Canonical SMILES	CACTVS	3.385	C1CN(CC2(C1)CC2)c3ncnc4[nH]ccc34
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4