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115093-89-5 | Ethanol, 2-[(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-
CAS No: 115093-89-5 Catalog No: AG000FW8 MDL No:
Product Description
Catalog Number:
AG000FW8
Chemical Name:
Ethanol, 2-[(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-
CAS Number:
115093-89-5
Molecular Formula:
C9H11IN4O2
Molecular Weight:
334.1137
IUPAC Name:
2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
InChI:
InChI=1S/C9H11IN4O2/c10-6-3-14(5-16-2-1-15)9-7(6)8(11)12-4-13-9/h3-4,15H,1-2,5H2,(H2,11,12,13)
InChI Key:
KLEDQGQAJWEOCN-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(I)cn2COCCO
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.117g/mol
Monoisotopic Mass:
333.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Activity of acyclic halogenated tubercidin analogs against human cytomegalovirus and in uninfected cells. | Antiviral research 19910901 |
| Design, synthesis, and studies on the structure activity relationships of certain pyrrolo[2,3-d]pyrimidine nucleosides and structurally related analogs as potential antineoplastic and antiviral agents. | Farmaco (Societa chimica italiana : 1989) 19910101 |
| Synthesis and antiviral activity of certain 4- and 4,5-disubstituted 7-[(2-hydroxyethoxy)methyl]pyrrolo[2,3-d]pyrimidines. | Journal of medicinal chemistry 19881101 |
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