E8D

2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one

Created:	2017-12-13
Last modified:	2017-12-20

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1 entries where E8D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	18

2D diagram of E8D

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Chemical Component Summary
Name	2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one
Systematic Name (OpenEye OEToolkits)	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-8-phenyl-5,7-dihydropteridin-6-one
Formula	C₁₈ H₁₃ F₂ N₅ O₂
Molecular Weight	369.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c23cnc(Nc1cc(c(c(c1)F)O)F)nc2N(CC(N3)=O)c4ccccc4
SMILES	CACTVS	3.385	Oc1c(F)cc(Nc2ncc3NC(=O)CN(c4ccccc4)c3n2)cc1F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F
Canonical SMILES	CACTVS	3.385	Oc1c(F)cc(Nc2ncc3NC(=O)CN(c4ccccc4)c3n2)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F
InChI	InChI	1.03	InChI=1S/C18H13F2N5O2/c19-12-6-10(7-13(20)16(12)27)22-18-21-8-14-17(24-18)25(9-15(26)23-14)11-4-2-1-3-5-11/h1-8,27H,9H2,(H,23,26)(H,21,22,24)
InChIKey	InChI	1.03	LGIWSHCSALMSPR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131953526

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