ChemDiv2_005578
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: ChemDiv2_005578|Oprea1_360715|IDI1_004293|UPCMLD0ENAT5835099:001|7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione|AB00668528-01|F0570-0309|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione|7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-pyrrolidinyl-1,3,7-trihydropur ine-2,6-dione|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H22N6O2S2 |
|---|---|
| Molecular Weight | 442.12457 g/mol |
| LogP | 2.4359 |
| Topological Polar Surface Area | 77.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.12457 |
| Monoisotopic Mass | 442.12457 |
| Heavy Atoms | 30 |
| Complexity | 1326.6282 |
Chemical Identifiers
| CAS Number | 501352-36-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv2_005578 (CAS 501352-36-9), with molecular formula C20H22N6O2S2 and molecular weight 442.12457 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione.
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