AC1LLXMC

8-(azepan-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione

Also Known As: BAS 08333442|UPCMLD0ENAT5836646:001|SR-01000364720-1|8-(azepan-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione|8-(azepan-1-yl)-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-(azepan-1-yl)-7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-azaperhydroepinyl-7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-1,3-dimethyl-1 ,3,7-trihydropurine-2,6-dione

Molecular Formula	C21H29N7O2S
Molecular Weight	443.21036 g/mol
LogP	2.01324
Topological Polar Surface Area	90.84 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	443.21036
Monoisotopic Mass	443.21036
Heavy Atoms	31
Complexity	1198.912

Chemical Identifiers

CAS Number	797775-38-3
SMILES	CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C)C