7-Benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione

7-benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione

Also Known As: 7-benzyl-8-heptylsulfanyl-1,3-dimethylpurine-2,6-dione|7-benzyl-8-heptylsulfanyl-1,3-dimethyl-purine-2,6-dione|8-heptylthio-1,3-dimethyl-7-benzyl-1,3,7-trihydropurine-2,6-dione|7-benzyl-8-(heptylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-benzyl-8-(heptylthio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|7-benzyl-8-(heptylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-BENZYL-8-(HEPTYLTHIO)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Molecular Formula	C21H28N4O2S
Molecular Weight	400.1933 g/mol
LogP	3.5445
Topological Polar Surface Area	61.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	400.1933
Monoisotopic Mass	400.1933
Heavy Atoms	28
Complexity	1050.1833

Chemical Identifiers

CAS Number	374099-86-2
SMILES	CCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C