RefChem:1058366
8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: Oprea1_174502|Oprea1_623930|7-(2,3-Dihydroxypropyl)-8-benzylaminotheophylline|NCGC00286245-01|BAS 02378978|AB01286930-01|AG-690/40639784|SR-01000312114-1|1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((phenylmethyl)amino)-|3,7-Dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione|8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione|8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(phenylmethylamino)purine-2,6-dione|7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[benzylamino]-1,3,7-trihydropurine-2,6- dione|8-(BENZYLAMINO)-7-(2,3-DI-HO-PR)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|1H-Purine-2,6-dione,7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-|8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(Benzylimino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H21N5O4 |
|---|---|
| Molecular Weight | 359.15936 g/mol |
| LogP | -0.601 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.15936 |
| Monoisotopic Mass | 359.15936 |
| Heavy Atoms | 26 |
| Complexity | 1035.2184 |
Chemical Identifiers
| CAS Number | 78740-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CO)O |
Product Overview
RefChem:1058366 (CAS 78740-20-2), with molecular formula C17H21N5O4 and molecular weight 359.15936 g/mol. IUPAC: 8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione.