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

Technical Data

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:	63.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0