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27402-47-7 | 5-Benzylidenepyrimidine-2,4,6(1H,3H,5H);-trione
CAS No: 27402-47-7 Catalog No: AG003O0D MDL No:MFCD00059761
Product Description
Catalog Number:
AG003O0D
Chemical Name:
5-Benzylidenepyrimidine-2,4,6(1H,3H,5H);-trione
CAS Number:
27402-47-7
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD00059761
IUPAC Name:
5-benzylidene-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChI Key:
CMWDWOZYVQQAMI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC(=O)C1=Cc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Large-scale virtual screening for the identification of new Helicobacter pylori urease inhibitor scaffolds. | Journal of molecular modeling 20120701 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Discovery of (Z)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione, a readily available and orally active glitazone for the treatment of concanavalin A-induced acute liver injury of BALB/c mice. | Journal of medicinal chemistry 20100114 |
| Synthesis of barbiturate-based methionine aminopeptidase-1 inhibitors. | Bioorganic & medicinal chemistry letters 20080401 |
| An efficient synthesis of novel pyrano[2,3-d]- and furopyrano[2,3-d]pyrimidines via indium-catalyzed multi-component domino reaction. | Beilstein journal of organic chemistry 20060101 |
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