AC1LLF2V

7-[(Z)-3-chlorobut-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione

Also Known As: BAS 00552994|7-[(Z)-3-chlorobut-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione|(Z)-8-((4-chlorobenzyl)thio)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-((2Z)-3-chlorobut-2-enyl)-8-[(4-chlorophenyl)methylthio]-3-methyl-1,3,7-trih ydropurine-2,6-dione|8-(4-Chloro-benzylsulfanyl)-7-((Z)-3-chloro-but-2-enyl)-3-methyl-3,7-dihydro-purine-2,6-dione|8-[(4-chlorobenzyl)sulfanyl]-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-[(4-chlorobenzyl)thio]-7-[(2Z)-3-chloro-2-butenyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C17H16Cl2N4O2S
Molecular Weight	410.0371 g/mol
LogP	3.5116
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	410.0371
Monoisotopic Mass	410.0371
Heavy Atoms	26
Complexity	1092.8789

Chemical Identifiers

CAS Number	1164483-29-7
SMILES	C/C(=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C)/Cl