| SpectraBase Spectrum ID |
7cnwACYyIMr |
| Name |
1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- |
| CAS Registry Number |
5878-61-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H11ClN4O2 |
| InChI |
InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3 |
| InChIKey |
QCIARNIKNKKHFH-UHFFFAOYSA-N |
| Molecular Weight |
242.666 g/mol |
| SMILES |
C(Cl)C[n]1c2c(N(C)C(=O)N(C2=O)C)nc1 |
| SPLASH |
splash10-0ab9-6910000000-f9393a7c682865a79a6c |
| Source of Spectrum |
W5-1989-25259-1 |
| Synonyms |
7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
.beta.-Chloroethyltheophylline
7-(.beta.-Chlorethyl)theophylline
7-(.beta.-Chloroethyl)theophylline
7-(2-Chloroethyl)-1,3-dimethyl-(1H,3H)-purine-2,6-dione
7-(2-Chloroethyl)-1,3-dimethyl-purine-2,6-dione
7-(2-Chloroethyl)-1,3-dimethyl-xanthine
7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
7-(2-Chloroethyl)theophylline
7-(Chloroethyl)theophylline
Benaphyllin
Eupnophile
BRN 0251755
EINECS 227-553-2
NSC 337614 |
| Wiley ID |
1244522 |
