Benzaldehyde N-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone

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Systematic / IUPAC Name: 7-Benzyl-8-[(2E)-2-benzylidenehydrazino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference6079

Other Names: 7-Benzyl-8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;
Benzaldehyde, 1-{2-[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-1H-purin-8-yl]hydrazone}

Formula: C21H20N6O2

Spectral Data

Benzaldehyde N-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/24/2016 7:50:35 AM
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Identificators

InChI InChI=1S/C21H20N6O2/c1-25-18-17(19(28)26(2)21(25)29)27(14-16-11-7-4-8-12-16)20(23-18)24-22-13-15-9-5-3-6-10-15/h3-13H,14H2,1-2H3,(H,23,24)/b22-13+
InChI Key UPUCAESXQPXCKD-LPYMAVHISA-N
Canonical SMILES CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CC=C3)CC4=CC=CC=C4
CAS
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Other Names 7-Benzyl-8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;
Benzaldehyde, 1-{2-[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-1H-purin-8-yl]hydrazone}

In Other Databases

ChemSpider 7858067
PubChem 9583920