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6958-74-3 | 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(phenylamino)-
CAS No: 6958-74-3 Catalog No: AG005K41 MDL No:
Product Description
Catalog Number:
AG005K41
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(phenylamino)-
CAS Number:
6958-74-3
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
5-anilino-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C10H9N3O3/c14-8-7(9(15)13-10(16)12-8)11-6-4-2-1-3-5-6/h1-5,7,11H,(H2,12,13,14,15,16)
InChI Key:
DXFUYLCZFPJMIS-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC(=O)C1Nc1ccccc1
NSC Number:
64879
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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