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6-hydroxy-1,3-dimethyl-5-(2-nitrophenyl)diazenylpyrimidine-2,4-dione,

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摘 要: 6-hydroxy-1,3-dimethyl-5-(2-nitrophenyl)diazenylpyrimidine-2,4-dione,Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)N=NC2=CC=CC=C2[N+](=O)[O-])O,InChI: InChI=1/C12H11N5O5/c1-15-10(18)9(11(19)16(2)12(15)20)14-13-7-5-3-4-6-8,(7)17(21)22/h3-6,18H,1-2H3/b14-13
[Synonyms]

[Structure]
 6-hydroxy-1,3-dimethyl-5-(2-nitrophenyl)diazenylpyrimidine-2,4-dione,

[ Properties Computed from Structure]
Molecular Weight305.24624 [g/mol]
Molecular FormulaC12H11N5O5
XLogP1.8
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count2
Exact Mass305.076018
MonoIsotopic Mass305.076018
Topological Polar Surface Area129
Heavy Atom Count22
Formal Charge0
Complexity567
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: 6-hydroxy-1,3-dimethyl-5-(2-nitrophenyl)diazenylpyrimidine-2,4-dione
Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)N=NC2=CC=CC=C2[N+](=O)[O-])O
InChI: InChI=1/C12H11N5O5/c1-15-10(18)9(11(19)16(2)12(15)20)14-13-7-5-3-4-6-8
(7)17(21)22/h3-6,18H,1-2H3/b14-13+

 
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