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Amb700747

Duplicate ID
Molecule Name 10,10-dimethyl-3-((4-nitrobenzyl)thio)-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(SCc1ccc(cc1)[N+](=O)[O-])nn2)CC(OC3)(C)C
InchiKeyCEDDBJZQXMUOKR-UHFFFAOYSA-N
InChi InChI=1S/C22H23N5O3S3/c1-4-9-31-20-23-19-17(15-10-22(2,3)30-11-16(15)33-19)18-24-25-21(26(18)20)32-12-13-5-7-14(8-6-13)27(28)29/h5-8H,4,9-12H2,1-3H3
Formula C22H23N5O3S3
Molecular weight 501.645
Rings 5
logP 6.4161
PSA 176.97
MR 135.892
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