AC1MJW9R

3-methyl-7-pentyl-8-phenacylsulfanylpurine-2,6-dione

Also Known As: BAS 00316201|3-methyl-7-pentyl-8-phenacylsulfanylpurine-2,6-dione|3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione|AG-690/34686040|3-Methyl-8-(2-oxo-2-phenyl-ethylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione|3-methyl-8-((2-oxo-2-phenylethyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione|3-methyl-8-(2-oxo-2-phenylethylthio)-7-pentyl-1,3,7-trihydropurine-2,6-dione|3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Molecular Formula	C19H22N4O3S
Molecular Weight	386.14127 g/mol
LogP	2.5885
Topological Polar Surface Area	89.75 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	386.14127
Monoisotopic Mass	386.14127
Heavy Atoms	27
Complexity	1066.2336

Chemical Identifiers

CAS Number	313665-33-7
SMILES	CCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C