AC1MJ7VI

7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione

Also Known As: Oprea1_145958|Oprea1_762313|AG-690/11026001|7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(methylsulfanyl)-3,7-dihydro-2H-purin-2-one|7-{3-[(4-ethylphenyl)oxy]-2-hydroxypropyl}-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C18H22N4O4S
Molecular Weight	390.13617 g/mol
LogP	1.1475
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	390.13617
Monoisotopic Mass	390.13617
Heavy Atoms	27
Complexity	1052.1394

Chemical Identifiers

CAS Number	331675-26-4
SMILES	CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC)N(C(=O)NC3=O)C)O