RefChem:372545

7-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,8-dione

Also Known As: 5-26-14-00057 (Beilstein Handbook Reference)|Theophylline, 7-(3-(4-benzoyl-1-piperazinyl)-2-hydroxypropyl)-|1-Piperazineethanol, 4-benzoyl-alpha-(1,3-dimethyl-7-xanthinylmethyl)-|7-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethyl-1h-purine-2,8(3h,7h)-dione|Piperazine, 1-benzoyl-4-(2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)propyl)-|7-(3-(4-Benzoylpiperazin-1-yl)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,8(3H,7H)-dione|7-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethyl-2,3,7,8-tetrahydro-1H-purine-2,8-dione|7-[3-(4-Benzoyl-1-piperazinyl)-2-hydroxypropyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione|7-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,8-dione

Molecular Formula	C21H26N6O4
Molecular Weight	426.20154 g/mol
LogP	-0.8
Topological Polar Surface Area	105.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	426.20154
Heavy Atoms	31
Complexity	1156.8

Chemical Identifiers

CAS Number	19972-09-9
SMILES	CN1C=C2C(=NC(=O)N2CC(CN3CCN(CC3)C(=O)C4=CC=CC=C4)O)N(C1=O)C