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144433-06-7 | 2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-ethyl-6-(phenylseleno)-
CAS No: 144433-06-7 Catalog No: AG001JJG MDL No:
Product Description
Catalog Number:
AG001JJG
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-ethyl-6-(phenylseleno)-
CAS Number:
144433-06-7
Molecular Formula:
C15H18N2O3Se
Molecular Weight:
353.2750
IUPAC Name:
1-(ethoxymethyl)-5-ethyl-6-phenylselanylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H18N2O3Se/c1-3-12-13(18)16-15(19)17(10-20-4-2)14(12)21-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,19)
InChI Key:
IGFIJVXZVHIJST-UHFFFAOYSA-N
SMILES:
CCOCn1c(=O)[nH]c(=O)c(c1[Se]c1ccccc1)CC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.291g/mol
Monoisotopic Mass:
354.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Resistance of human immunodeficiency virus type 1 to acyclic 6-phenylselenenyl- and 6-phenylthiopyrimidines. | Antimicrobial agents and chemotherapy 19941001 |
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