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155831-53-1 | 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-[(phenylmethoxy)methyl]-6-(phenylseleno)-
CAS No: 155831-53-1 Catalog No: AG001O9J MDL No:
Product Description
Catalog Number:
AG001O9J
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-[(phenylmethoxy)methyl]-6-(phenylseleno)-
CAS Number:
155831-53-1
Molecular Formula:
C20H20N2O3Se
Molecular Weight:
415.3444
IUPAC Name:
5-ethyl-1-(phenylmethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
InChI:
InChI=1S/C20H20N2O3Se/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,24)
InChI Key:
KSCHXVGJFYXROD-UHFFFAOYSA-N
SMILES:
CCc1c(=O)[nH]c(=O)n(c1[Se]c1ccccc1)COCc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.064g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.362g/mol
Monoisotopic Mass:
416.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Action of uracil analogs on human immunodeficiency virus type 1 and its reverse transcriptase. | Antimicrobial agents and chemotherapy 19950201 |
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