EDP

5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Created:	2011-04-05
Last modified:	2021-03-01

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2 entries where EDP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	0

2D diagram of EDP

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Chemical Component Summary
Name	5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Synonyms	Thiopental
Systematic Name (OpenEye OEToolkits)	5-ethyl-5-[(2R)-pentan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Formula	C₁₁ H₁₈ N₂ O₂ S
Molecular Weight	242.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=S)NC(=O)C1(C(C)CCC)CC
SMILES	CACTVS	3.370	CCC[CH](C)C1(CC)C(=O)NC(=S)NC1=O
SMILES	OpenEye OEToolkits	1.7.0	CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
Canonical SMILES	CACTVS	3.370	CCC[C@@H](C)C1(CC)C(=O)NC(=S)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC
InChI	InChI	1.03	InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1
InChIKey	InChI	1.03	IUJDSEJGGMCXSG-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	39918, 3033017

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