AC1MIT3X

8-(azepan-1-yl)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione

Also Known As: Oprea1_318983|Oprea1_732317|NCGC00286437-01|BAS 01122559|AB00137724-02|8-(1-azepanyl)-7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione|AG-690/13701534|SR-01000443066-1|F0403-0040|8-(azepan-1-yl)-7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione|8-(azepan-1-yl)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione|8-(azepan-1-yl)-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(1-AZEPANYL)-7-(2-HO-3-ISOPROPOXYPROPYL)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|8-(azepan-1-yl)-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-azaperhydroepinyl-7-[2-hydroxy-3-(methylethoxy)propyl]-3-methyl-1,3,7-trihyd ropurine-2,6-dione

Molecular Formula	C18H29N5O4
Molecular Weight	379.22195 g/mol
LogP	0.5896
Topological Polar Surface Area	105.38 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	379.22195
Monoisotopic Mass	379.22195
Heavy Atoms	27
Complexity	889.51465

Chemical Identifiers

CAS Number	332103-69-2
SMILES	CC(C)OCC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)O