AC1NCTJE

7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione

Also Known As: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione|7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylsulfanyl-purine-2,6-dione|7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione|7-(2-chlorobenzyl)-1,3-dimethyl-8-(octylthio)-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-octylthio-1,3,7-trihydropurine-2,6-d ione

Molecular Formula	C22H29ClN4O2S
Molecular Weight	448.16998 g/mol
LogP	4.588
Topological Polar Surface Area	61.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	448.16998
Monoisotopic Mass	448.16998
Heavy Atoms	30
Complexity	1132.5935

Chemical Identifiers

CAS Number	373375-42-9
SMILES	CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C