AC1MZKNY
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5829945:001|7-(3-benzoxazol-2-ylthiopropyl)-8-(3,5-dimethylpiperidyl)-3-methyl-1,3,7-trihy dropurine-2,6-dione|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methylpurine-2,6-dione|7-(3-benzooxazol-2-ylsulfanylpropyl)-8-(3,5-dimethyl-1-piperidyl)-3-methyl-purine-2,6-dione|7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C23H28N6O3S |
|---|---|
| Molecular Weight | 468.19437 g/mol |
| LogP | 3.2292 |
| Topological Polar Surface Area | 101.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.19437 |
| Monoisotopic Mass | 468.19437 |
| Heavy Atoms | 33 |
| Complexity | 1374.3472 |
Chemical Identifiers
| CAS Number | 676154-46-4 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C)C |
Product Overview
AC1MZKNY (CAS 676154-46-4), with molecular formula C23H28N6O3S and molecular weight 468.19437 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methylpurine-2,6-dione.
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