3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione
CAS Registry Number®
57000-13-2
CAS Name
3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dioneMolecular Formula
C14H15N5O2Molecular Mass
285.30Cite this Page
3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=57000-13-2 (retrieved ) (CAS RN: 57000-13-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
236-237 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C14H15N5O2/c1-18-11-10(12(20)19(2)14(18)21)16-13(17-11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKey
InChIKey=FEUMMCAKDXMNOR-UHFFFAOYSA-N
SMILES
O=C1C2=C(N=C(NCC3=CC=CC=C3)N2)N(C)C(=O)N1C
Canonical SMILES
O=C1C=2NC(=NC2N(C(=O)N1C)C)NCC=3C=CC=CC3
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
- Theophylline, 8-benzylamino-
- 3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione
- 8-(Benzylamino)theophylline
