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SQ 32926 ,SQ 32,926 ,1-(Aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetr

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摘 要:SQ 32926 ,SQ 32,926 ,1-(Aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 1-methylethyl ester ,131275-84-8, propan-2-yl,1-carbamoyl-6-(3-chlorophenyl)-4-methyl-2-oxo-3,,6-dihydropyrimidine-5-carboxylate,C
[Synonyms]
SQ 32926
SQ 32,926
1-(Aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylic acid 1-methylethyl ester
131275-84-8

[Structure]
SQ 32926 ,SQ 32,926 ,1-(Aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetr

[ Properties Computed from Structure]
Molecular Weight351.78482 [g/mol]
Molecular FormulaC16H18ClN3O4
XLogP2
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count6
Exact Mass351.098584
MonoIsotopic Mass351.098584
Topological Polar Surface Area102
Heavy Atom Count24
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: propan-2-yl
1-carbamoyl-6-(3-chlorophenyl)-4-methyl-2-oxo-3,
6-dihydropyrimidine-5-carboxylate
Canonical SMILES: CC1=C(C(N(C(=O)N1)C(=O)N)C2=CC(=CC=C2)Cl)C(=O)OC(C)C
InChI: InChI=1/C16H18ClN3O4/c1-8(2)24-14(21)12-9(3)19-16(23)20(15(18)22)13(12)
10-5-4-6-11(17)7-10/h4-8,13H,1-3H3,(H2,18,22)(H,19,23)/f/h19H,18H2

 
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