AC1LDAMG
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: Oprea1_001782|Oprea1_689891|1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(4-morpholinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione|1,3-Dimethyl-7-(4-methylbenzyl)-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione|1,3-Dimethyl-7-(4-methylbenzyl)-8-((2-(4-morpholinyl)ethyl)sulfanyl)-3,7-dihydro-1H-purine-2,6-dione|1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione|633-522-8
| Molecular Formula | C21H27N5O3S |
|---|---|
| Molecular Weight | 429.18347 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.18347 |
| Monoisotopic Mass | 429.18347 |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 460360-84-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCOCC4)N(C(=O)N(C3=O)C)C |
| InChIKey | KKIZUMXLPKYFJA-UHFFFAOYSA-N |
Product Overview
AC1LDAMG (CAS 460360-84-3), with molecular formula C21H27N5O3S and molecular weight 429.18347 g/mol. IUPAC: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
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