Molecular Structure:
CCD No.:CCD08048294
8-(BENZOTHIAZOL-2-YLSULFANYL)-3-METHYL-7-NONYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Formula:C22 H27 N5 O2 S2
MolWeight:457.62
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| Product Name： | 8-(BENZOTHIAZOL-2-YLSULFANYL)-3-METHYL-7-NONYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| English Synonyms： | 8-(BENZOTHIAZOL-2-YLSULFANYL)-3-METHYL-7-NONYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| MDL Number.： | MFCD00620799 |
| H bond acceptor： | 7 |
| H bond donor： | 1 |
| Smile： | CCCCCCCCCn1c2c(=O)[nH]c(=O)n(c2nc1Sc3nc4ccccc4s3)C |
| InChi： | InChI=1S/C22H27N5O2S2/c1-3-4-5-6-7-8-11-14-27-17-18(26(2)20(29)25-19(17)28)24-21(27)31-22-23-15-12-9-10-13-16(15)30-22/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,25,28,29) |
| InChiKey： | InChIKey=BKMBQWNYMVADET-UHFFFAOYSA-N |
Basic Information
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