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Molecule : RJ4

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H13N3O2/c15-6-14-3-7-1-9-10-8(12-5-13-10)2-11(7,4-14)16-9/h5-7,9H,1-4H2,(H,12,13)/t7-,9-,11+/m1/s1
2	InChIKey	InChI	1.03	XRNLVBAEYBLIIG-ZOFUNIGCSA-N
3	SMILES	CACTVS	3.385	O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34
4	SMILES	OpenEye OEToolkits	2.0.6	c1[nH]c2c(n1)C3CC4CN(CC4(C2)O3)C=O
5	Canonical SMILES	CACTVS	3.385	O=CN1C[C@H]2C[C@H]3O[C@]2(C1)Cc4[nH]cnc34
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O