AC1N24W8
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione
Also Known As: 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one|7-(3-benzooxazol-2-ylsulfanylpropyl)-8-(benzyl-methyl-amino)-3-methyl-purine-2,6-dione|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione
| Molecular Formula | C24H24N6O3S |
|---|---|
| Molecular Weight | 476.16306 g/mol |
| LogP | 3.3833 |
| Topological Polar Surface Area | 101.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.16306 |
| Monoisotopic Mass | 476.16306 |
| Heavy Atoms | 34 |
| Complexity | 1533.9866 |
Chemical Identifiers
| CAS Number | 714947-45-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCCSC4=NC5=CC=CC=C5O4 |
Product Overview
AC1N24W8 (CAS 714947-45-2), with molecular formula C24H24N6O3S and molecular weight 476.16306 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione.
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