AC1MJ7VO

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

Also Known As: Oprea1_196366|Oprea1_367931|BAS 00458047|7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-(isopropylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|AB00667638-01|AG-690/36880015|F0373-0634|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(propan-2-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(methylethylthio)-1,3,7-trih ydropurine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C20H26N4O4S
Molecular Weight	418.16748 g/mol
LogP	1.9261
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	418.16748
Monoisotopic Mass	418.16748
Heavy Atoms	29
Complexity	1098.5972

Chemical Identifiers

CAS Number	331675-29-7
SMILES	CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC(C)C)N(C(=O)NC3=O)C)O