1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine, hydrate (2:1:2)
CAS Registry Number®
5897-66-5
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CAS Name
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine, hydrate (2:1:2)Molecular Formula
C7H8N4O2.1/2C2H8N2.H2OCite this Page
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine, hydrate (2:1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=49746-06-7 (retrieved ) (CAS RN: 5897-66-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C7H8N4O2.C2H8N2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;/h3H,1-2H3,(H,8,9);1-4H2;1H2
InChIKey
InChIKey=BSLTXSYZKWXHKU-UHFFFAOYSA-N
SMILES
C(CN)N.O=C1C2=C(N(C)C(=O)N1C)N=CN2.O
Canonical SMILES
O=C1C=2NC=NC2N(C(=O)N1C)C.O.NCCN
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine, hydrate (2:1:2)
- Theophylline, compd. with ethylenediamine (2:1), dihydrate
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1), dihydrate
- Ethylenediamine, compd. with theophylline (1:2), hydrate
- 1,2-Ethanediamine, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:2), dihydrate
Deleted or Replaced CAS Registry Numbers
49746-06-7
