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| Duplicate ID | |
|---|---|
| Molecule Name | 10,10-dimethyl-5-(propylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol |
| Smiles | CCCSc1nc2sc3c(c2c2n1c(S)nn2)CC(OC3)(C)C |
| InchiKey | GTWWRLMAMSIKPI-UHFFFAOYSA-N |
| InChi | InChI=1S/C15H18N4OS3/c1-4-5-22-14-16-12-10(11-17-18-13(21)19(11)14)8-6-15(2,3)20-7-9(8)23-12/h4-7H2,1-3H3,(H,18,21) |
| Formula | C15H18N4OS3 |
| Molecular weight | 366.525 |
| Rings | 4 |
| logP | 3.9811 |
| PSA | 144.65 |
| MR | 98.114 |