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137897-78-0 | Benzamide, 3-[[1,2,3,6-tetrahydro-3-[(2-hydroxyethoxy)methyl]-5-methyl-2,6-dioxo-4-pyrimidinyl]thio]-
CAS No: 137897-78-0 Catalog No: AG00142G MDL No:
Product Description
Catalog Number:
AG00142G
Chemical Name:
Benzamide, 3-[[1,2,3,6-tetrahydro-3-[(2-hydroxyethoxy)methyl]-5-methyl-2,6-dioxo-4-pyrimidinyl]thio]-
CAS Number:
137897-78-0
Molecular Formula:
C15H17N3O5S
Molecular Weight:
351.3776
IUPAC Name:
3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzamide
InChI:
InChI=1S/C15H17N3O5S/c1-9-13(21)17-15(22)18(8-23-6-5-19)14(9)24-11-4-2-3-10(7-11)12(16)20/h2-4,7,19H,5-6,8H2,1H3,(H2,16,20)(H,17,21,22)
InChI Key:
BSKLJDBBPLYDEP-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1cccc(c1)C(=O)N)C
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
351.377g/mol
Monoisotopic Mass:
351.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine analogues: effect of substitutions at the C-6 phenyl ring and at the C-5 position on anti-HIV-1 activity. | Journal of medicinal chemistry 19920124 |
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