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Amb706119

Duplicate ID
Molecule Name 10,10-dimethyl-3-((4-nitrobenzyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
10,10-dimethyl-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles[O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1
InchiKeyTYSRVSLUZJATHW-UHFFFAOYSA-N
InChi InChI=1S/C19H18N6O3S2/c1-19(2)7-12-13(8-28-19)30-16-14(12)15-22-23-18(24(15)17(20)21-16)29-9-10-3-5-11(6-4-10)25(26)27/h3-6H,7-9H2,1-2H3,(H2,20,21)
Formula C19H18N6O3S2
Molecular weight 442.515
Rings 5
logP 5.0774
PSA 177.69
MR 118.961
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