GY5

5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide

Created:	2017-06-09
Last modified:	2021-03-01

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1 entries where GY5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	6

2D diagram of GY5

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Chemical Component Summary
Name	5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide
Synonyms	SRI-29685
Systematic Name (OpenEye OEToolkits)	~{N}-(2-methoxyethyl)-5-oxidanyl-6-oxidanylidene-2-[(2~{S})-1-(2-phenoxyethanoyl)pyrrolidin-2-yl]-1~{H}-pyrimidine-4-carboxamide
Formula	C₂₀ H₂₄ N₄ O₆
Molecular Weight	416.428
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCCC1C2=NC(C(NCCOC)=O)=C(C(N2)=O)O)C(=O)COc3ccccc3
SMILES	CACTVS	3.385	COCCNC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	COCCNC(=O)C1=C(C(=O)NC(=N1)C2CCCN2C(=O)COc3ccccc3)O
Canonical SMILES	CACTVS	3.385	COCCNC(=O)C1=C(O)C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O
InChI	InChI	1.03	InChI=1S/C20H24N4O6/c1-29-11-9-21-19(27)16-17(26)20(28)23-18(22-16)14-8-5-10-24(14)15(25)12-30-13-6-3-2-4-7-13/h2-4,6-7,14,26H,5,8-12H2,1H3,(H,21,27)(H,22,23,28)/t14-/m0/s1
InChIKey	InChI	1.03	QXPINDFCNAGJSF-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	131953453, 135567343

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