MDV 1

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

Also Known As: MDV 1|MD-VI|MDV-1|Theophylline, 7-(2-hydroxyethyl)-8-(3-pyridylmethyl)-|7-(2-Hydroxyethyl)-8-(3-pyridylmethyl)theophylline|5-26-19-00156 (Beilstein Handbook Reference)|(Hydroxy-2'' ethyl)-7 (pyridyl-3' methyl)-8 theophylline|(Hydroxy-2'' ethyl)-7 (pyridyl-3' methyl)-8 theophylline [French]|7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine|7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione|1H-Purine-2,6-dione,3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-|3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-1H-purine-2,6-dione|7-(2-Hydroxyethyl)-1,3-dimethyl-8-[(pyridin-3-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione|7-(2-Hydroxyethyl)-8-(3-pyridylmethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|7-(2-hydroxyethyl)-1,3-dimethyl-8-[(pyridin-3-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Molecular Formula	C15H17N5O3
Molecular Weight	315.13315 g/mol
LogP	-0.3
Topological Polar Surface Area	91.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	315.13315
Monoisotopic Mass	315.13315
Heavy Atoms	23
Complexity	474.0

Chemical Identifiers

CAS Number	28345-96-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CCO
InChIKey	VHTUHGNVVZPWGO-UHFFFAOYSA-N