1SG

N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide

Created:	2013-05-17
Last modified:	2014-10-15

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1 entries where 1SG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	18

2D diagram of 1SG

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Chemical Component Summary
Name	N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[4-[[3-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-5-methoxy-phenyl]carbonylamino]phenyl]pyridine-2-carboxamide
Formula	C₂₄ H₁₉ N₅ O₅
Molecular Weight	457.438
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4C(c3cc(C(=O)Nc2ccc(NC(=O)c1ncccc1)cc2)cc(OC)c3)=CNC(=O)N4
SMILES	CACTVS	3.370	COc1cc(cc(c1)C2=CNC(=O)NC2=O)C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3
SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O
Canonical SMILES	CACTVS	3.370	COc1cc(cc(c1)C2=CNC(=O)NC2=O)C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O
InChI	InChI	1.03	InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
InChIKey	InChI	1.03	IDGYBMGDEPAAQL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	78673835
ChEMBL	CHEMBL3341771

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