W7F

5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Created:	2013-03-12
Last modified:	2014-03-05

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1 entries where W7F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	11

2D diagram of W7F

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Chemical Component Summary
Name	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
Formula	C₁₈ H₁₆ N₂ O₅
Molecular Weight	340.33
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3c2cc(OC)ccc2ccc3
SMILES	CACTVS	3.370	COc1ccc2cccc(CCC3=C(NC(=O)NC3=O)C(O)=O)c2c1
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O
Canonical SMILES	CACTVS	3.370	COc1ccc2cccc(CCC3=C(NC(=O)NC3=O)C(O)=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C18H16N2O5/c1-25-12-7-5-10-3-2-4-11(14(10)9-12)6-8-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)(H2,19,20,21,24)
InChIKey	InChI	1.03	YMSWTHCRKDTGCQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73010365
ChEMBL	CHEMBL3990625

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