N-Benzoyl-N,9-bis(trimethylsilyl)adenine - CAS 18055-47-5
Catalog: |
BB061660 |
Product Name: |
N-Benzoyl-N,9-bis(trimethylsilyl)adenine |
CAS: |
18055-47-5 |
Synonyms: |
N-(Trimethylsilyl)-N-(9-(trimethylsilyl)-9H-purin-6-yl)benzamide; Benzamide, N-(trimethylsilyl)-N-[9-(trimethylsilyl)-9H-purin-6-yl]-; 9,N-Bis(trimethylsilyl)-N-benzoyl-9H-purine-6-amine |
IUPAC Name: | N-trimethylsilyl-N-(9-trimethylsilylpurin-6-yl)benzamide |
Molecular Weight: | 383.6 |
Molecular Formula: | C18H25N5OSi2 |
Canonical SMILES: | C[Si](C)(C)N1C=NC2=C1N=CN=C2N(C(=O)C3=CC=CC=C3)[Si](C)(C)C |
InChI: | InChI=1S/C18H25N5OSi2/c1-25(2,3)22-13-21-15-16(22)19-12-20-17(15)23(26(4,5)6)18(24)14-10-8-7-9-11-14/h7-13H,1-6H3 |
InChI Key: | CAESNCKMRVIYKU-UHFFFAOYSA-N |
References: | Ciuffreda, P. et al. Mag, Reson. Chem., 45, 781 (2007); Long, X., et al. J. Pharmacol. Exper. Ther., 335, 781 (2010), Ham, M., et al. J. Pharmacol. Exper. Ther., 335, 607 (2010),. |
Complexity: | 513 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 383.15976351 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 383.15976351 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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