7-Theophyllineethanol, alpha-(N-methylnicotinamidomethyl)-, nicotinate (ester)

[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[methyl(pyridine-3-carbonyl)amino]propan-2-yl] pyridine-3-carboxylate

Also Known As: 7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate|7-Theophyllineethanol, alpha-(N-methylnicotinamidomethyl)-, nicotinate (ester)|Purineethanol, 1,3-dimethyl-2,6-dioxo-alpha-(N-methylnicotinamidomethyl)-, nicotinate|1,3-dimethyl-7-[2-3- propyl]-1h-purine-2,6 -dione|1,3-Dimethyl-7-[2- -3- propyl]-1H-purine-2,6 -dione|[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[methyl(pyridine-3-carbonyl)amino]propan-2-yl] pyridine-3-carboxylate|1,3-DIMETHYL -7-[2-(NICOTINOYLOXY)-3-(N-NICOTINOYL -N-METHYLAMINO)PROPYL ]-1H-PURINE-2,6(3H,7H)-DIONE|1,3-Dimethyl-7-[2-(nicotinoyloxy)-3-(N-nicotinoyl-N-methylamino)propyl]-1H-purine-2,6(3H,7H)-dione|1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-(N-methylpyridine-3-carboxamido)propan-2-yl pyridine-3-carboxylate|1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate|1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-3-[N-methyl-1-(pyridin-3-yl)formamido]propan-2-yl pyridine-3-carboxylate|3-Pyridinecarboxylic acid, 1-[[methyl(3-pyridinylcarbonyl)amino]methyl]-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester|nicotinic acid 1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-2-(methyl-nicotinoyl-amino)-ethyl ester|Nicotinic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-1-{[methyl-(pyridine-3-carbonyl)-amino]-methyl}-ethyl ester

Molecular Formula	C23H23N7O5
Molecular Weight	477.17606 g/mol
LogP	0.2215
Topological Polar Surface Area	134.21 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	477.17606
Monoisotopic Mass	477.17606
Heavy Atoms	35
Complexity	1491.9713

Chemical Identifiers

CAS Number	51920-68-4
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4