AC1MKHSC
3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 08333514|UPCMLD0ENAT5730394:001|SR-01000364001-1|3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-piperidin-1-ylpurine-2,6-dione|3-methyl-7-(2-methyl-3-(pyrimidin-2-ylthio)propyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione|3-methyl-7-(2-methyl-3-pyrimidin-2-ylthiopropyl)-8-piperidyl-1,3,7-trihydropur ine-2,6-dione|3-methyl-7-[2-methyl-3-(pyrimidin-2-ylsulfanyl)propyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione|6-hydroxy-3-methyl-7-[2-methyl-3-(pyrimidin-2-ylsulfanyl)propyl]-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H25N7O2S |
|---|---|
| Molecular Weight | 415.17905 g/mol |
| LogP | 1.632 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.17905 |
| Monoisotopic Mass | 415.17905 |
| Heavy Atoms | 29 |
| Complexity | 1099.4285 |
Chemical Identifiers
| CAS Number | 714232-10-7 |
|---|---|
| SMILES | CC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4 |
Product Overview
AC1MKHSC (CAS 714232-10-7), with molecular formula C19H25N7O2S and molecular weight 415.17905 g/mol. IUPAC: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-piperidin-1-ylpurine-2,6-dione.
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