8-[(p-Bromohenyl)methylenehydrazino]-caffeine

SpectraBase Compound ID	J0stQYOswhd
InChI	InChI=1S/C15H15BrN6O2/c1-20-11-12(21(2)15(24)22(3)13(11)23)18-14(20)19-17-8-9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,18,19)/b17-8+
InChIKey	GSVAJPQRNQFIGK-CAOOACKPSA-N Google Search
Mol Weight	391.23 g/mol
Molecular Formula	C15H15BrN6O2
Exact Mass	390.043987 g/mol

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SpectraBase Spectrum ID	FfAPJJeKJJc
Name	8-[(p-Bromohenyl)methylenehydrazino]-caffeine
Alternate Name(s)	8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-1,3,7-trimethyl-purine-2,6-dione 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H15BrN6O2
InChI	InChI=1S/C15H15BrN6O2/c1-20-11-12(21(2)15(24)22(3)13(11)23)18-14(20)19-17-8-9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,18,19)/b17-8+
InChIKey	GSVAJPQRNQFIGK-CAOOACKPSA-N
Molecular Weight	391.229 g/mol
SMILES	N(c1nc2c(C(=O)N(C(N2C)=O)C)[n]1C)\N=C\c1ccc(cc1)Br
SPLASH	splash10-0a59-8493000000-127b2e1e8607449a8103
Source of Spectrum	AH-134-569-7
Wiley ID	1546871