basic_info |
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| Product_Name: | 7-[3-(4-CHLOROPHENOXY)-2-HYDROXYPROPYL]-8-[(3-METHOXYPROPYL)AMINO]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| CAS: | 476479-89-7 |
| EnglishSynonyms: | 7-[3-(4-CHLOROPHENOXY)-2-HYDROXYPROPYL]-8-[(3-METHOXYPROPYL)AMINO]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD03933526 |
| pro_acceptors: | 10 |
| pro_donors: | 3 |
| pro_smile: | Cn1c2c(c(=O)[nH]c1=O)n(c(n2)NCCCOC)CC(COc3ccc(cc3)Cl)O |
| InChi: | InChI=1S/C19H24ClN5O5/c1-24-16-15(17(27)23-19(24)28)25(18(22-16)21-8-3-9-29-2)10-13(26)11-30-14-6-4-12(20)5-7-14/h4-7,13,26H,3,8-11H2,1-2H3,(H,21,22)(H,23,27,28) |
| InChiKey: | InChIKey=KHXVMMTWQMOXMV-UHFFFAOYSA-N |
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