2TU

1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Created:	2011-06-24
Last modified:	2021-03-01

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1 entries where 2TU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	4
Bond Count	30
Aromatic Bond Count	0

2D diagram of 2TU

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Chemical Component Summary
Name	1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Synonyms	2-thiouridine
Systematic Name (OpenEye OEToolkits)	1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-sulfanylidene-pyrimidin-4-one
Formula	C₉ H₁₂ N₂ O₅ S
Molecular Weight	260.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO
SMILES	CACTVS	3.370	OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=S
SMILES	OpenEye OEToolkits	1.7.2	C1=CN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O
Canonical SMILES	CACTVS	3.370	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=S
Canonical SMILES	OpenEye OEToolkits	1.7.2	C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI	InChI	1.03	InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	GJTBSTBJLVYKAU-XVFCMESISA-N

Related Resource References

Resource Name	Reference
PubChem	3036443, 146517
ChEBI	CHEBI:60731
CCDC/CSD	TURIDN10

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