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29639-68-7 | 4,6(1H,5H)-Pyrimidinedione, 2-(methylthio)-
CAS No: 29639-68-7 Catalog No: AG002YYC MDL No:MFCD00006087
Product Description
Catalog Number:
AG002YYC
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, 2-(methylthio)-
CAS Number:
29639-68-7
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD00006087
IUPAC Name:
2-methylsulfanyl-1H-pyrimidine-4,6-dione
InChI:
InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H2,1H3,(H,6,7,8,9)
InChI Key:
RIPUYOLXCQRHOZ-UHFFFAOYSA-N
SMILES:
CSC1=NC(=O)CC(=O)N1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. | Biochemical pharmacology 19940817 |
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