OYG

6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione

Created:	2019-07-18
Last modified:	2024-09-27

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1 entries where OYG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of OYG

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Chemical Component Summary
Name	6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	6-methyl-5-[(~{E})-3-oxidanylidenebut-1-enyl]-1~{H}-pyrimidine-2,4-dione
Formula	C₉ H₁₀ N₂ O₃
Molecular Weight	194.187
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1C(NC(C([C@H]=[C@H]C(C)=O)=C1C)=O)=O
SMILES	CACTVS	3.385	CC(=O)C=CC1=C(C)NC(=O)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)NC(=O)N1)C=CC(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)/C=C/C1=C(C)NC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C
InChI	InChI	1.03	InChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+
InChIKey	InChI	1.03	BUVNCCASAGRUIE-ONEGZZNKSA-N

Related Resource References

Resource Name	Reference
PubChem	145946112

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