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Imanixilum,Imanixil,Imanixil [INN],4-Amino-2-(4,4-dimethyl-2-oxo-1-imi

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摘 要:Imanixilum,Imanixil,Imanixil [INN],4-Amino-2-(4,4-dimethyl-2-oxo-1-imidazolidinyl)-3'-(trifluyormethyl)-5-pyrimidincarboxanilid,4-Amino-2-(4,4-dimethyl-2-oxo-1-imidazolidinyl)-alpha,alpha,alpha-trifluoro-5-pyrimidinecarboxy-m-toluidide,75689-93-9
[Synonyms]
Imanixilum
Imanixil
Imanixil [INN]
4-Amino-2-(4,4-dimethyl-2-oxo-1-imidazolidinyl)-3'-(trifluyormethyl)-5-pyrimidincarboxanilid
4-Amino-2-(4,4-dimethyl-2-oxo-1-imidazolidinyl)-alpha,alpha,alpha-trifluoro-5-pyrimidinecarboxy-m-toluidide
75689-93-9

[Structure]
Imanixilum,Imanixil,Imanixil [INN],4-Amino-2-(4,4-dimethyl-2-oxo-1-imi

[ Properties Computed from Structure]
Molecular Weight394.35109 [g/mol]
Molecular FormulaC17H17F3N6O2
XLogP2.4
H-Bond Donor3
H-Bond Acceptor8
Rotatable Bond Count3
Tautomer Count18
Exact Mass394.136508
MonoIsotopic Mass394.136508
Topological Polar Surface Area113
Heavy Atom Count28
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-amino-2-(4,
4-dimethyl-2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]
pyrimidine-5-carboxamide
Canonical SMILES: CC1(CN(C(=O)N1)C2=NC=C(C(=N2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C
InChI: InChI=1/C17H17F3N6O2/c1-16(2)8-26(15(28)25-16)14-22-7-11(12(21)24-14)13
(27)23-10-5-3-4-9(6-10)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,27)(H,25,
28)(H2,21,22,24)/f/h23,25H,21H2

 
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