NUY

[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone

Created:	2019-05-28
Last modified:	2019-07-10

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7 entries where NUY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	5

2D diagram of NUY

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Chemical Component Summary
Name	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	(4-propan-2-ylpiperazin-1-yl)-thiophen-2-yl-methanone
Formula	C₁₂ H₁₈ N₂ O S
Molecular Weight	238.349
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(C(C)C)CCN(CC1)C(c2cccs2)=O
SMILES	CACTVS	3.385	CC(C)N1CCN(CC1)C(=O)c2sccc2
SMILES	OpenEye OEToolkits	2.0.6	CC(C)N1CCN(CC1)C(=O)c2cccs2
Canonical SMILES	CACTVS	3.385	CC(C)N1CCN(CC1)C(=O)c2sccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)N1CCN(CC1)C(=O)c2cccs2
InChI	InChI	1.03	InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3
InChIKey	InChI	1.03	ZEVVAPJSMUTCRY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	764856

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