Molecular Structure:
CCD No.:CCD08061846
8-BENZYLSULFANYL-7-(4-CHLORO-BENZYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Formula:C20 H17 Cl N4 O2 S
MolWeight:412.899
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| Product Name： | 8-BENZYLSULFANYL-7-(4-CHLORO-BENZYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| English Synonyms： | 8-BENZYLSULFANYL-7-(4-CHLORO-BENZYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| MDL Number.： | MFCD01051141 |
| H bond acceptor： | 6 |
| H bond donor： | 1 |
| Smile： | Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCc3ccccc3)Cc4ccc(cc4)Cl |
| InChi： | InChI=1S/C20H17ClN4O2S/c1-24-17-16(18(26)23-19(24)27)25(11-13-7-9-15(21)10-8-13)20(22-17)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26,27) |
| InChiKey： | InChIKey=JMIPNHIXDRVTRO-UHFFFAOYSA-N |
Basic Information
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