3-Benzyl-8-[(E)-styryl]adenine

SpectraBase Compound ID	XQK560IZor
InChI	InChI=1S/C20H17N5/c21-19-18-20(25(14-22-19)13-16-9-5-2-6-10-16)24-17(23-18)12-11-15-7-3-1-4-8-15/h1-12,14H,13,21H2/b12-11+
InChIKey	LJTMMCXNZQEOCR-VAWYXSNFSA-N Google Search
Mol Weight	327.39 g/mol
Molecular Formula	C20H17N5
Exact Mass	327.148396 g/mol

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SpectraBase Spectrum ID	I0UtElAnUCG
Name	3-Benzyl-8-[(E)-styryl]adenine
Alternate Name(s)	3-benzyl-8-[(E)-2-phenylethenyl]-3H-purin-6-amine 3-benzyl-8-[(E)-2-phenylethenyl]-3H-purin-6-ylamine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17N5
InChI	InChI=1S/C20H17N5/c21-19-18-20(25(14-22-19)13-16-9-5-2-6-10-16)24-17(23-18)12-11-15-7-3-1-4-8-15/h1-12,14H,13,21H2/b12-11+
InChIKey	LJTMMCXNZQEOCR-VAWYXSNFSA-N
Molecular Weight	327.391 g/mol
SMILES	NC=1N=CN(C=2C1N=C(\C=C\c1ccccc1)N2)Cc1ccccc1
SPLASH	splash10-002f-9005000000-814350e423e88bbdb790
Source of Spectrum	SO-0-1708-5
Wiley ID	878576