7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline

7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione

Also Known As: MDV 2|7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline|5-26-19-00156 (Beilstein Handbook Reference)|Theophylline, 7-(2,3-dihydroxypropyl)-8-(3-pyridylmethyl)-|(Dioxy-2'',3'' propyl)-7 (pyridyl-3' methyl)-8 theophylline [French]|(Dioxy-2'',3'' propyl)-7 (pyridyl-3' methyl)-8 theophylline|7- -8- -3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)p|7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione|7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|1H-Purine-2,6-dione,7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-8-(3-pyridinylmethyl)-|7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(pyridin-3-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(2,3-Dihydroxypropyl)-1,3-dimethyl-8-[(pyridin-3-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C16H19N5O4
Molecular Weight	345.1437 g/mol
LogP	-0.9
Topological Polar Surface Area	112.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	345.1437
Monoisotopic Mass	345.1437
Heavy Atoms	25
Complexity	519.0

Chemical Identifiers

CAS Number	28345-97-3
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CC(CO)O
InChIKey	AGBXEAQAOHJACV-UHFFFAOYSA-N