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Amb715084

Duplicate ID
Molecule Name 10,10dimethyl3[(2phenylethyl)thio]5(propylthio)10,11dihydro8Hpyrano[4',3':4,5]thieno[3,2e][1,2,4]triazolo[4,3c]pyrimidine
10,10-dimethyl-3-(phenethylthio)-5-(propylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
SmilesCCCSc1nc2sc3c(c2c2n1c(SCCc1ccccc1)nn2)CC(OC3)(C)C
InchiKeySMDBNUIVMSZCAR-UHFFFAOYSA-N
InChi InChI=1S/C23H26N4OS3/c1-4-11-29-21-24-20-18(16-13-23(2,3)28-14-17(16)31-20)19-25-26-22(27(19)21)30-12-10-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3
Formula C23H26N4OS3
Molecular weight 470.674
Rings 5
logP 6.0272
PSA 131.15
MR 131.877
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