AC1LK84L
3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 04914744|UPCMLD0ENAT5829924:001|NCGC00081231-03|3-methyl-7-(3-methylbenzyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione|AB00429629-05|AB00429629-12|SR-01000497360-1|F1191-0136|3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione|3-ME-7(3-ME-BENZYL)8-((2-(1-PIPERIDINYL)ET)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidylethylthio)-1,3,7-trihydropur ine-2,6-dione|6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.18854 g/mol |
| LogP | 2.35802 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.18854 |
| Monoisotopic Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 1124.2823 |
Chemical Identifiers
| CAS Number | 442865-08-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)NC3=O)C |
Product Overview
AC1LK84L (CAS 442865-08-9), with molecular formula C21H27N5O2S and molecular weight 413.18854 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione.
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