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    AZD5904

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Azd5904, 618913-30-7, Azd-5904, 62a9cg81vn, Az-1, Tx-4
    Molecular Formula
    C10H12N4O2S
    Molecular Weight
    252.30  g/mol
    InChI Key
    RSPDBEVKURKEII-ZCFIWIBFSA-N
    FDA UNII
    62A9CG81VN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
    2.1.2 InChI
    InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
    2.1.3 InChI Key
    RSPDBEVKURKEII-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    C1CC(OC1)CN2C3=C(C(=O)NC2=S)NC=N3
    2.1.5 Isomeric SMILES
    C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3
    2.2 Other Identifiers
    2.2.1 UNII
    62A9CG81VN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Azd5904

    2. 618913-30-7

    3. Azd-5904

    4. 62a9cg81vn

    5. Az-1

    6. Tx-4

    7. 3-(((2r)-oxolan-2-yl)methyl)-2-sulfanylidene-7h-purin-6-one

    8. (r)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one

    9. 1,2,3,9-tetrahydro-3-(((2r)-tetrahydro-2-furanyl)methyl)-2-thioxo-6h-purin-6-one

    10. 2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one

    11. 6h-purin-6-one, 1,2,3,7-tetrahydro-3-(((2r)-tetrahydro-2-furanyl)methyl)-2-thioxo-

    12. 6h-purin-6-one, 1,2,3,9-tetrahydro-3-(((2r)-tetrahydro-2-furanyl)methyl)-2-thioxo-

    13. 2-thioxanthine, Tx4

    14. Unii-62a9cg81vn

    15. Gtpl7728

    16. Schembl2288062

    17. Chembl4278946

    18. Bdbm92469

    19. Azd 5904 [who-dd]

    20. Azd 5904

    21. Hy-111341

    22. Cs-0035112

    23. D80680

    24. Q27074766

    25. 3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,2,3,9-tetrahydro-purin-6-one

    26. 3-[[(2~{r})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{h}-purin-6-one

    27. 3-[[(2r)-tetrahydrofuran-2-yl]methyl]-2-thioxo-2,3,6,7-tetrahydro-1h-purine-6-one

    28. Ue8

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 252.30 g/mol
    Molecular Formula C10H12N4O2S
    XLogP30.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass252.06809681 g/mol
    Monoisotopic Mass252.06809681 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity351
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1