HXE

3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile

Created:	2019-01-02
Last modified:	2020-05-06

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1 entries where HXE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	10

2D diagram of HXE

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Chemical Component Summary
Name	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Systematic Name (OpenEye OEToolkits)	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Formula	C₁₈ H₂₆ N₆ S
Molecular Weight	358.504
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N
SMILES	OpenEye OEToolkits	2.0.6	CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N
Canonical SMILES	CACTVS	3.385	CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N
InChI	InChI	1.03	InChI=1S/C18H26N6S/c1-4-24-11-6-14(7-12-24)23(3)18-20-15-8-13-25-16(15)17(21-18)22(2)10-5-9-19/h8,13-14H,4-7,10-12H2,1-3H3
InChIKey	InChI	1.03	MLPWBUBDJOKZOR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146027022

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