TUL

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

Created:	2014-10-28
Last modified:	2015-07-15

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1 entries where TUL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of TUL

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Chemical Component Summary
Name	2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	2-sulfanylidene-1H-pyrimidin-4-one
Formula	C₄ H₄ N₂ O S
Molecular Weight	128.152
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=CNC(=S)N1
SMILES	CACTVS	3.385	O=C1NC(=S)NC=C1
SMILES	OpenEye OEToolkits	1.9.2	C1=CNC(=S)NC1=O
Canonical SMILES	CACTVS	3.385	O=C1NC(=S)NC=C1
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1=CNC(=S)NC1=O
InChI	InChI	1.03	InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey	InChI	1.03	ZEMGGZBWXRYJHK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1586, 5284463, 1269845
ChEMBL	CHEMBL345768
ChEBI	CHEBI:348530
CCDC/CSD	TURCIL02, TURCIL03, TURCIL04, TURCIL05, JIWKIJ, TURCIL01, LOFDAL, TURCIL09, TURCIL08, TURCIL07, TURCIL06
COD	4506047, 2022072, 2311945

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