RefChem:1058454

8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione

Also Known As: (E)-8-(3,4-Methylenedioxystyryl)theophylline|8-(3,4-(Methylenedioxy)styryl)theophylline|Theophylline, 8-(3,4-(methylenedioxy)styryl)-|Theophylline,4-(methylenedioxy)styryl]-|8-[3,4-(Methylenebisoxy)styryl]theophyline|8-[3,4-(Methylenedioxy)styryl]theophylline|Theophylline, 8-[3,4-(methylenedioxy)styryl]-|(E)-8-(2-(1,3-Benzodioxol-5-yl)ethenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-dimethyl-, (E)-|1H-Purine-2,6-dione, 8-(2-(1,3-benzodioxol-5-yl)ethenyl)-3,7-dihydro-1,3-dimethyl-|8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|1,3-Dimethyl-8-[3,4-(methylenebisoxy)styryl]-1H-purine-2,6(3H,7H)-dione|1H-Purine-2, 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3-dimethyl-|8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione|1H-Purine-2,6-dione, 8-((1E)-2-(1,3-benzodioxol-5-yl)ethenyl)-3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 8-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3-dimethyl-|8-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-[(E)-2-(2H-1,3-Benzodioxol-5-yl)ethenyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Molecular Formula	C16H14N4O4
Molecular Weight	326.1015 g/mol
LogP	0.8594
Topological Polar Surface Area	91.14 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	326.1015
Monoisotopic Mass	326.1015
Heavy Atoms	24
Complexity	1103.6885

Chemical Identifiers

CAS Number	76989-91-8
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CC4=C(C=C3)OCO4