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Reference, SMILES, CAS
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, Chemical name...
Amb748275
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Duplicate ID
Amb17780549
Amb19953236
Molecule Name
10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine-7-thiol
Smiles
Sc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3
InchiKey
NAEYWNYYKIWHCL-UHFFFAOYSA-N
InChi
InChI=1S/C12H10N6S2/c19-12-16-15-11-17(12)10-8(9-13-5-14-18(9)11)6-3-1-2-4-7(6)20-10/h5H,1-4H2,(H,16,19)
Formula
C12H10N6S2
Molecular weight
302.378
Rings
5
logP
2.1542
PSA
127.42
MR
79.599
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