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Amb712163

Duplicate ID
Molecule Name 10,10-dimethyl-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SmilesNc1nc2sc3c(c2c2n1c(SCCc1ccccc1)nn2)CC(OC3)(C)C
InchiKeyDFXXFNWKGUKRQO-UHFFFAOYSA-N
InChi InChI=1S/C20H21N5OS2/c1-20(2)10-13-14(11-26-20)28-17-15(13)16-23-24-19(25(16)18(21)22-17)27-9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,21,22)
Formula C20H21N5OS2
Molecular weight 411.544
Rings 5
logP 4.6885
PSA 131.87
MR 114.946
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