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Barbituric acid, 1-butyl-5,5-diallyl-,Barbituric acid, 1-butyl-5,5-dia

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摘 要:Barbituric acid, 1-butyl-5,5-diallyl-,Barbituric acid, 1-butyl-5,5-diallyl-,,30453-93-1, 1-butyl-5,5-di(prop-2-enyl)-1,3-diazinane-2,4,6-trione,Canonical SMILES: CCCCN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C,InChI: InChI=1/C14H20N2O3/c1-4-7-10-16-12(18)14(8-5-2
[Synonyms]
Barbituric acid, 1-butyl-5,5-diallyl-
Barbituric acid, 1-butyl-5,5-diallyl-,
30453-93-1

[Structure]
Barbituric acid, 1-butyl-5,5-diallyl-,Barbituric acid, 1-butyl-5,5-dia

[ Properties Computed from Structure]
Molecular Weight264.3202 [g/mol]
Molecular FormulaC14H20N2O3
XLogP2.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count3
Exact Mass264.147393
MonoIsotopic Mass264.147393
Topological Polar Surface Area66.5
Heavy Atom Count19
Formal Charge0
Complexity405
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: 1-butyl-5,5-di(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCCCN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C
InChI: InChI=1/C14H20N2O3/c1-4-7-10-16-12(18)14(8-5-2,
9-6-3)11(17)15-13(16)19/h5-6H,2-4,7-10H2,1H3,(H,15,17,19)/f/h15H

 
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