AC1NEJ8V

8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

Also Known As: Oprea1_520958|NCGC00313633-01|AB01309058-01|8-(butan-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione|8-(butan-2-ylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-(sec-butylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-(sec-butylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(methylpropylthio)-1,3,7-trihydropur ine-2,6-dione

Molecular Formula	C18H21ClN4O2S
Molecular Weight	392.10736 g/mol
LogP	3.026
Topological Polar Surface Area	61.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	392.10736
Monoisotopic Mass	392.10736
Heavy Atoms	26
Complexity	1083.2102

Chemical Identifiers

CAS Number	373375-79-2
SMILES	CCC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C