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115044-83-2 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-
CAS No: 115044-83-2 Catalog No: AG000FSC MDL No:
Product Description
Catalog Number:
AG000FSC
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-
CAS Number:
115044-83-2
Molecular Formula:
C12H11N5O2
Molecular Weight:
257.2480
IUPAC Name:
4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
InChI:
InChI=1S/C12H11N5O2/c13-3-7-4-17(9-2-1-8(5-18)19-9)12-10(7)11(14)15-6-16-12/h1-2,4,6,8-9,18H,5H2,(H2,14,15,16)/t8-,9+/m0/s1
InChI Key:
MKPNXBOGNDTEQA-DTWKUNHWSA-N
SMILES:
Nc1ncnc2c1c(cn2[C@@H]1O[C@@H](C=C1)CO)C#N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.253g/mol
Monoisotopic Mass:
257.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of certain thiosangivamycin analogs as potential inhibitors of cell proliferation and human cytomegalovirus. | Journal of medicinal chemistry 19950929 |
| 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 |
| Investigations on the anti-HIV activity of 2',3'-dideoxyadenosine analogues with modifications in either the pentose or purine moiety. Potent and selective anti-HIV activity of 2,6-diaminopurine 2',3'-dideoxyriboside. | Biochemical pharmacology 19880401 |
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