AC1MJ7Y0

7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-propylsulfanylpurine-2,6-dione

Also Known As: Oprea1_339798|Oprea1_512446|NCGC00274681-01|AB00648086-06|AG-690/11060026|7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-propylsulfanylpurine-2,6-dione|7-(2-Hydroxy-3-phenoxy-propyl)-3-methyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione|7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione

Molecular Formula	C18H22N4O4S
Molecular Weight	390.13617 g/mol
LogP	1.3653
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	390.13617
Monoisotopic Mass	390.13617
Heavy Atoms	27
Complexity	1025.503

Chemical Identifiers

CAS Number	331675-48-0
SMILES	CCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C