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Home > Other Building Blocks > 824983-96-2
824983-96-2 | Furo[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-hydroxy-7-phenyl-
CAS No: 824983-96-2 Catalog No: AG0057OX MDL No:
Product Description
Catalog Number:
AG0057OX
Chemical Name:
Furo[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-hydroxy-7-phenyl-
CAS Number:
824983-96-2
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
IUPAC Name:
3-hydroxy-7-phenyl-1H-furo[3,2-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H8N2O4/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
InChI Key:
NOTDDTGAIAOPAG-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(coc2c(=O)n1O)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.206g/mol
Monoisotopic Mass:
244.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| The identification and optimization of a N-hydroxy urea series of flap endonuclease 1 inhibitors. | Bioorganic & medicinal chemistry letters 20050117 |
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