Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-

7-[5-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]pentyl]-1,3-dimethylpurine-2,6-dione

Also Known As: D 973|7-(5-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)pentyl)theophylline|5-26-14-00036 (Beilstein Handbook Reference)|Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-|7-(5-{[1-(3,4-dihydroxyphenyl)propan-2-yl]amino}pentyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(5-((1-(3,4-Dihydroxyphenyl)propan-2-yl)amino)pentyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline|7-[5-[1-(3,4-dihydroxyphenyl)propan-2-ylamino]pentyl]-1,3-dimethylpurine-2,6-dione|1H-Purine-2,6-dione, 7-[5-[[2-(3,4-dihydroxyphenyl)-1-methylethyl]amino]pentyl]-3,7-dihydro-1,3-dimethyl-|7-(5-{[1-(3,4-Dihydroxyphenyl)propan-2-yl]amino}pentyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C21H29N5O4
Molecular Weight	415.22195 g/mol
LogP	1.236
Topological Polar Surface Area	114.31 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	415.22195
Monoisotopic Mass	415.22195
Heavy Atoms	30
Complexity	1144.7299

Chemical Identifiers

CAS Number	62401-71-2
SMILES	CC(CC1=CC(=C(C=C1)O)O)NCCCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C