AC1MJQDI

8-[2-(dimethylamino)ethylamino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione

Also Known As: Oprea1_780921|BAS 02378953|8-((2-(dimethylamino)ethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione|AG-690/40721235|F0823-0163|8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(2-dimethylaminoethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione|8-[2-(dimethylamino)ethylamino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione|8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one|8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C20H28N6O4
Molecular Weight	416.2172 g/mol
LogP	0.14512
Topological Polar Surface Area	117.41 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	416.2172
Monoisotopic Mass	416.2172
Heavy Atoms	30
Complexity	1130.5076

Chemical Identifiers

CAS Number	335403-85-5
SMILES	CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O