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| Duplicate ID | |
|---|---|
| Molecule Name | 9,9-Dimethyl-4-methylsulfanyl-9,10-dihydro-7H-8-oxa-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene |
| 10,10-dimethyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine | |
| 10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine | |
| Smiles | CSc1nc2sc3c(c2c2n1cnn2)CC(OC3)(C)C |
| InchiKey | YKDOLGPLJVFFIA-UHFFFAOYSA-N |
| InChi | InChI=1S/C13H14N4OS2/c1-13(2)4-7-8(5-18-13)20-11-9(7)10-16-14-6-17(10)12(15-11)19-3/h6H,4-5H2,1-3H3 |
| Formula | C13H14N4OS2 |
| Molecular weight | 306.406 |
| Rings | 4 |
| logP | 2.9122 |
| PSA | 105.85 |
| MR | 81.248 |