W8W

5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione

Created:	2022-09-02
Last modified:	2022-11-02

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1 entries where W8W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of W8W

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Chemical Component Summary
Name	5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	5-bromanyl-1-methyl-pyrimidine-2,4-dione
Formula	C₅ H₅ Br N₂ O₂
Molecular Weight	205.009
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)N(C)C=C1Br
SMILES	CACTVS	3.385	CN1C=C(Br)C(=O)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CN1C=C(C(=O)NC1=O)Br
Canonical SMILES	CACTVS	3.385	CN1C=C(Br)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1C=C(C(=O)NC1=O)Br
InChI	InChI	1.06	InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKey	InChI	1.06	PIVKLKRNXWUHSD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73276
CCDC/CSD	MBURAC02, BURBAD

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