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7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]purine-2,6-dione
7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4=CC=CC(=C4)C(F)(F)F
Isomeric SMILES
CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H21F3N6O2/c1-3-4-10-29-16-17(26-19(29)28-11-8-25-9-12-28)30(20(32)27(2)18(16)31)15-7-5-6-14(13-15)21(22,23)24/h5-7,13,25H,8-12H2,1-2H3
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- 2,5-bis(chloranyl)benzene-1,4-diol
- 2,5-bis(chloranyl)phenol
- 2-oxidanylidenehexanedioic acid
- 2-oxidanylidene-3-sulfanyl-propanoic acid
- 3-oxidanylbenzaldehyde
- 3-azanylpropanal
- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
- 3-oxidanylidenehexanedioic acid
- 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid
- 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione
- 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid
- 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanamide
- 3-methyl-7-(3-methylbut-2-enyl)-1-(phenylsulfonylmethyl)-8-piperazin-1-yl-purine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid
- 3-methyl-7-(3-methylbut-2-enyl)-1-(phenylsulfonylmethyl)-8-piperazin-1-yl-purine-2,6-dione
- 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-7-prop-2-enyl-purin-1-yl]ethanoic acid
- 2-[7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoic acid
- 4-[1-(carboxymethyl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid
- 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]purine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid
