7-[2-(1-adamantyl)-2-oxoethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	7XbxyXbOIBk
InChI	InChI=1S/C19H23BrN4O3/c1-22-15-14(16(26)23(2)18(22)27)24(17(20)21-15)9-13(25)19-6-10-3-11(7-19)5-12(4-10)8-19/h10-12H,3-9H2,1-2H3/t10-,11+,12-,19-
InChIKey	RCTGQNOBUGGHNN-RDLDAJNDSA-N Google Search
Mol Weight	435.32 g/mol
Molecular Formula	C19H23BrN4O3
Exact Mass	434.095354 g/mol

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SpectraBase Spectrum ID	Aenn4iStVUd
Name	7-[2-(1-adamantyl)-2-keto-ethyl]-8-bromo-1,3-dimethyl-xanthine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H23BrN4O3
InChI	InChI=1S/C19H23BrN4O3/c1-22-15-14(16(26)23(2)18(22)27)24(17(20)21-15)9-13(25)19-6-10-3-11(7-19)5-12(4-10)8-19/h10-12H,3-9H2,1-2H3/t10-,11+,12-,19-
InChIKey	RCTGQNOBUGGHNN-RDLDAJNDSA-N
Molecular Weight	435.322 g/mol
SMILES	c12c([n](CC(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])=O)c(n2)Br)C(=O)N(C(N1C)=O)C
SPLASH	splash10-000i-4900000000-94ec4d3e15cfd995f26c
Synonyms	7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione 7-[2-(1-adamantyl)-2-oxo-ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione
Wiley ID	1454625