Furafylline

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Systematic / IUPAC Name: 3-(2-Furylmethyl)-1,8-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference7286

Other Names: 1,8-Dimethyl-3-(2'-furfuryl)-1H-purine-2,6-dione;
1H-Purine-2,6-dione,3-(2-furanylmethyl)-3,9-dihydro-1,8-dimethyl-;
3-(2-Furanylmethyl)-3,7-dihydro-1,8-dimethyl-1H-purine-2,6-dione;
3-(2-Furylmethyl)-1,8-dimethyl-7H-purine-2,6-dione;
3-(Furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione ; more

Formula: C12H12N4O3

Spectral Data

Furafylline 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 2
No. of Spectra 188
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/24/2018 8:11:50 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key KGQZGCIVHYLPBH-UHFFFAOYSA-N
Canonical SMILES CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
CAS 80288499
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Other Names 1,8-Dimethyl-3-(2'-furfuryl)-1H-purine-2,6-dione;
1H-Purine-2,6-dione,3-(2-furanylmethyl)-3,9-dihydro-1,8-dimethyl-;
3-(2-Furanylmethyl)-3,7-dihydro-1,8-dimethyl-1H-purine-2,6-dione;
3-(2-Furylmethyl)-1,8-dimethyl-7H-purine-2,6-dione;
3-(Furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione;
3-(Furan-2-ylmethyl)-1,8-dimethyl-3,7-dihydro-1H-purine-2,6-dione;
3-(Furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione;
3-Furfuryl-1,8-dimethylxanthine

In Other Databases

PubChem 3433
ChemIDPlus 080288499
ChemSpider 3315
ChEMBL CHEMBL405845
Wikipedia Furafylline