UTH

4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid

Created:	2013-06-29
Last modified:	2014-09-05

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1 entries where UTH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	22

2D diagram of UTH

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Chemical Component Summary
Name	4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
Formula	C₂₄ H₂₄ N₄ O₃
Molecular Weight	416.472
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c4c(Nc1ccccc1C(C)(C)C)c3c(nc(c2c(onc2C)C)cc3)nc4
SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(cnc3n2)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C
Canonical SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(cnc3n2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C
InChI	InChI	1.03	InChI=1S/C24H24N4O3/c1-13-20(14(2)31-28-13)19-11-10-15-21(16(23(29)30)12-25-22(15)27-19)26-18-9-7-6-8-17(18)24(3,4)5/h6-12H,1-5H3,(H,29,30)(H,25,26,27)
InChIKey	InChI	1.03	PTXRSHPWCLHNBN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71695581

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