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Duplicate ID | |
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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 |