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Amb8607007

Duplicate ID
Molecule Name 10,10-dimethyl-5-[(4-nitrobenzyl)thio]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles[O-][N+](=O)c1ccc(cc1)CSc1nc2sc3c(c2c2n1ncn2)CC(OC3)(C)C
InchiKeyVGGLYNPAHCVCFM-UHFFFAOYSA-N
InChi InChI=1S/C19H17N5O3S2/c1-19(2)7-13-14(8-27-19)29-17-15(13)16-20-10-21-23(16)18(22-17)28-9-11-3-5-12(6-4-11)24(25)26/h3-6,10H,7-9H2,1-2H3
Formula C19H17N5O3S2
Molecular weight 427.5
Rings 5
logP 4.914
PSA 151.67
MR 114.557
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