AC1LDH4S
8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-phenacylpurine-2,6-dione
Also Known As: AB00401686-08|8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione|8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-phenacylpurine-2,6-dione|1,3-DIMETHYL-7-(2-OXO-2-PHENYLETHYL)-8-[(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE|8-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C25H25N5O3 |
|---|---|
| Molecular Weight | 443.19574 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.19574 |
| Monoisotopic Mass | 443.19574 |
| Heavy Atoms | 33 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 851940-75-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC(=O)C5=CC=CC=C5 |
| InChIKey | NIUFWCSICXKQNI-UHFFFAOYSA-N |
Product Overview
AC1LDH4S (CAS 851940-75-5), with molecular formula C25H25N5O3 and molecular weight 443.19574 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-phenacylpurine-2,6-dione.
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