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NSC380204,AIDS130123,AIDS-130123,1-[2-Methyl-4-(2-methyl-[1,3]dioxolan

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摘 要:NSC380204,AIDS130123,AIDS-130123,1-[2-Methyl-4-(2-methyl-[1,3]dioxolan-2-yl)-5-oxo-tetrahydro-furan-2-ylmethyl]-1H-pyrimidine-2,4-dione, 1-[[2-methyl-4-(2-methyl-1,,3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl]pyrimidine-2,4-dione,Canonical SMILES: CC1(C
[Synonyms]
NSC380204
AIDS130123
AIDS-130123
1-[2-Methyl-4-(2-methyl-[1,3]dioxolan-2-yl)-5-oxo-tetrahydro-furan-2-ylmethyl]-1H-pyrimidine-2,4-dione

[Structure]
NSC380204,AIDS130123,AIDS-130123,1-[2-Methyl-4-(2-methyl-[1,3]dioxolan

[ Properties Computed from Structure]
Molecular Weight310.30252 [g/mol]
Molecular FormulaC14H18N2O6
XLogP-0.4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count3
Tautomer Count6
Exact Mass310.116486
MonoIsotopic Mass310.116486
Topological Polar Surface Area94.2
Heavy Atom Count22
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[[2-methyl-4-(2-methyl-1,
3-dioxolan-2-yl)-5-oxooxolan-2-yl]methyl]pyrimidine-2,4-dione
Canonical SMILES: CC1(CC(C(=O)O1)C2(OCCO2)C)CN3C=CC(=O)NC3=O
InChI: InChI=1/C14H18N2O6/c1-13(8-16-4-3-10(17)15-12(16)19)7-9(11(18)22-13)14
(2)20-5-6-21-14/h3-4,9H,5-8H2,1-2H3,(H,15,17,19)/f/h15H

 
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