Methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate

methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate

Also Known As: AB00685699-01|methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate|F1167-0122|methyl 2-((3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate|Methyl 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate|methyl 2-[(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate|methyl 2-[(6-hydroxy-3-methyl-7-octyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate|ME 2-((3-ME-7-OCTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)THIO)PROPANOATE

Molecular Formula	C18H28N4O4S
Molecular Weight	396.18314 g/mol
LogP	2.4374
Topological Polar Surface Area	98.98 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	396.18314
Monoisotopic Mass	396.18314
Heavy Atoms	27
Complexity	899.12427

Chemical Identifiers

CAS Number	384372-75-2
SMILES	CCCCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C