AC1MJ7VX

8-ethylsulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione

Also Known As: Oprea1_487949|Oprea1_517082|BAS 00458053|NCGC00274670-01|AB00577964-06|8-(ethylsulfanyl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-ethylsulfanyl-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione|8-(ethylthio)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione|8-ethylthio-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1,3,7-trihydropurine-2,6-di one

Molecular Formula	C17H20N4O4S
Molecular Weight	376.1205 g/mol
LogP	0.9752
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	376.1205
Monoisotopic Mass	376.1205
Heavy Atoms	26
Complexity	1009.26013

Chemical Identifiers

CAS Number	331675-30-0
SMILES	CCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C