AC1LJVXN

3-methyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione

Also Known As: Oprea1_620812|BAS 02378806|3-methyl-7-(4-methylbenzyl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione|3-methyl-7-(4-methylbenzyl)-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione|3-methyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione|3,7-Dihydro-3-methyl-7-[(4-methylphenyl)methyl]-8-[[2-(4-morpholinyl)ethyl]thio]-1H-purine-2,6-dione|3-ME-7(4-ME-BENZYL)8-((2-(4-MORPHOLINYL)ET)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|3-methyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylthio)-1,3,7-trihyd ropurine-2,6-dione|3-methyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3-Methyl-7-[(4-methylphenyl)methyl]-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C20H25N5O3S
Molecular Weight	415.16782 g/mol
LogP	1.20432
Topological Polar Surface Area	85.15 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	415.16782
Monoisotopic Mass	415.16782
Heavy Atoms	29
Complexity	1110.0776

Chemical Identifiers

CAS Number	335403-19-5
SMILES	CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCOCC4)N(C(=O)NC3=O)C