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Molecule : 7ME

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1
2	InChIKey	InChI	1.03	GXOHKQZNOVLQOK-YFKPBYRVSA-N
3	SMILES	ACDLabs	12.01	n1c2c(c(nc1N)N)CCC(C2)C
4	SMILES	CACTVS	3.370	C[CH]1CCc2c(N)nc(N)nc2C1
5	SMILES	OpenEye OEToolkits	1.7.0	CC1CCc2c(nc(nc2N)N)C1
6	Canonical SMILES	CACTVS	3.370	C[C@H]1CCc2c(N)nc(N)nc2C1
7	Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H]1CCc2c(nc(nc2N)N)C1