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127945-87-3 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(2-hydroxyethoxy)methyl]-6-(methylthio)-
CAS No: 127945-87-3 Catalog No: AG000XLD MDL No:
Product Description
Catalog Number:
AG000XLD
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(2-hydroxyethoxy)methyl]-6-(methylthio)-
CAS Number:
127945-87-3
Molecular Formula:
C11H13N5O2S
Molecular Weight:
279.3182
IUPAC Name:
4-amino-7-(2-hydroxyethoxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
InChI:
InChI=1S/C11H13N5O2S/c1-19-11-7(4-12)8-9(13)14-5-15-10(8)16(11)6-18-3-2-17/h5,17H,2-3,6H2,1H3,(H2,13,14,15)
InChI Key:
KMBSGMPVHGGQQY-UHFFFAOYSA-N
SMILES:
CSc1c(C#N)c2c(n1COCCO)ncnc2N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.318g/mol
Monoisotopic Mass:
279.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of some acyclic and C-acyclic pyrrolo[2,3-d]pyrimidine nucleoside analogues. | Journal of medicinal chemistry 19900801 |
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