当前位置: 首页 » 资料 » 化学物质数据库 » 6-(4-methoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)-5H-purino

6-(4-methoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)-5H-purino

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:2
摘 要: 6-(4-methoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)-5H-purino[7,,8-a]imidazol-9-ium-1,3-dione,Canonical SMILES: CC1=C([N+]2=C(N1C3=CC=C(C=C3)OC)NC4=C2C(=O)N(C(=O)N4C)CC(=C)C)C,InChI: InChI=1/C21H23N5O3/c1-12(2)11-24-19(27)17-18(23(5)21(24)28
[Synonyms]

[Structure]
 6-(4-methoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)-5H-purino

[ Properties Computed from Structure]
Molecular Weight394.44696 [g/mol]
Molecular FormulaC21H24N5O3+
XLogP5.229
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count3
Exact Mass394.187915
MonoIsotopic Mass394.187915
Topological Polar Surface Area74.7
Heavy Atom Count29
Formal Charge1
Complexity692
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-(4-methoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)-5H-purino[7,
8-a]imidazol-9-ium-1,3-dione
Canonical SMILES: CC1=C([N+]2=C(N1C3=CC=C(C=C3)OC)NC4=C2C(=O)N(C(=O)N4C)CC(=C)C)C
InChI: InChI=1/C21H23N5O3/c1-12(2)11-24-19(27)17-18(23(5)21(24)28)22-20-25(13
(3)14(4)26(17)20)15-7-9-16(29-6)10-8-15/h7-10H,1,11H2,
2-6H3/p+1/fC21H24N5O3/h22H/q+1

 
本文导航:
  • (1) 6-(4-methoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)-5H-purino
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注