AC1LLY0W

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

Also Known As: Oprea1_088044|Oprea1_322822|BAS 00620076|AG-690/11570134|7-(2-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-8-{[(4-chlorophenyl)methyl]sulfanyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione|7-(2-chlorobenzyl)-8-((4-chlorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[(2-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylthio]-3-methyl-1,3,7-trihy dropurine-2,6-dione

Molecular Formula	C20H16Cl2N4O2S
Molecular Weight	446.0371 g/mol
LogP	4.0707
Topological Polar Surface Area	72.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	446.0371
Monoisotopic Mass	446.0371
Heavy Atoms	29
Complexity	1309.0483

Chemical Identifiers

CAS Number	330181-99-2
SMILES	CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4Cl