UKO

~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide

Created:	2023-09-06
Last modified:	2024-09-11

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1 entries where UKO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	0

2D diagram of UKO

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Chemical Component Summary
Name	~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide
Formula	C₁₄ H₁₈ N₄ O₃ S₂
Molecular Weight	354.448
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[CH]3CCCS3
SMILES	OpenEye OEToolkits	2.0.7	C1CC(SC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3
Canonical SMILES	CACTVS	3.385	NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[C@H]3CCCS3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C[C@@H](SC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3
InChI	InChI	1.06	InChI=1S/C14H18N4O3S2/c15-13-10(3-1-7-16-23(20,21)11-5-6-11)9-18(14(19)17-13)12-4-2-8-22-12/h9,11-12,16H,2,4-8H2,(H2,15,17,19)/t12-/m1/s1
InChIKey	InChI	1.06	DXQFIQXYAWBCLC-GFCCVEGCSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.