basic_info |
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| Product_Name: | 8-[BENZYL(METHYL)AMINO]-7-[3-(4-ETHYLPHENOXY)-2-HYDROXYPROPYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| CAS: | 332904-69-5 |
| EnglishSynonyms: | 8-[BENZYL(METHYL)AMINO]-7-[3-(4-ETHYLPHENOXY)-2-HYDROXYPROPYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD02224107 |
| pro_acceptors: | 9 |
| pro_donors: | 2 |
| pro_smile: | CCc1ccc(cc1)OCC(Cn2c3c(=O)[nH]c(=O)n(c3nc2N(C)Cc4ccccc4)C)O |
| InChi: | InChI=1S/C25H29N5O4/c1-4-17-10-12-20(13-11-17)34-16-19(31)15-30-21-22(29(3)25(33)27-23(21)32)26-24(30)28(2)14-18-8-6-5-7-9-18/h5-13,19,31H,4,14-16H2,1-3H3,(H,27,32,33) |
| InChiKey: | InChIKey=NQLOFICGMHMMKH-UHFFFAOYSA-N |
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