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18740-38-0 | Thieno[2,3-d]pyrimidine-2,4-diol
CAS No: 18740-38-0 Catalog No: AG003US1 MDL No:MFCD11520884
Product Description
Catalog Number:
AG003US1
Chemical Name:
Thieno[2,3-d]pyrimidine-2,4-diol
CAS Number:
18740-38-0
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
MDL Number:
MFCD11520884
IUPAC Name:
1H-thieno[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C6H4N2O2S/c9-4-3-1-2-11-5(3)8-6(10)7-4/h1-2H,(H2,7,8,9,10)
InChI Key:
JGOOQALRLGHKIY-UHFFFAOYSA-N
SMILES:
Oc1nc(O)c2c(n1)scc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Discovery of 1-{4-[1-(2,6-difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor. | Journal of medicinal chemistry 20110728 |
| Synthesis and structure-activity relationships of thieno[2,3-d]pyrimidine-2,4-dione derivatives as potent GnRH receptor antagonists. | Bioorganic & medicinal chemistry letters 20031020 |
| Discovery of a thieno[2,3-d]pyrimidine-2,4-dione bearing a p-methoxyureidophenyl moiety at the 6-position: a highly potent and orally bioavailable non-peptide antagonist for the human luteinizing hormone-releasing hormone receptor. | Journal of medicinal chemistry 20030102 |
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