Free Chemical Databases
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[Synonyms]
HB 2
HB-2
2-Hydroxylamino-5-ethyl-5-propylbarbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-propyl-, 2-oxime
102902-43-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 213.2337 [g/mol] Molecular Formula C9H15N3O3 XLogP 1 H-Bond Donor 3 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 8 Exact Mass 213.111341 MonoIsotopic Mass 213.111341 Topological Polar Surface Area 90.8 Heavy Atom Count 15 Formal Charge 0 Complexity 314 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-ethyl-2-(hydroxyamino)-5-propyl-1H-pyrimidine-4,6-dione
Canonical SMILES: CCCC1(C(=O)NC(=NC1=O)NO)CC
InChI: InChI=1/C9H15N3O3/c1-3-5-9(4-2)6(13)10-8(12-15)11-7(9)14/h15H,3-5H2,
1-2H3,(H2,10,11,12,13,14)/f/h10,12H
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