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2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]-2-oxidanylidene-ethanenitrile
2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]-2-oxidanylidene-ethanenitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C(=O)C#N)C
Isomeric SMILES
CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C(=O)C#N)C
InChI
InChI=1S/C16H17N7O3/c1-3-4-7-22-12-13(19-15(22)21-8-5-18-6-9-21)20(2)16(26)23(14(12)25)11(24)10-17/h18H,5-9H2,1-2H3
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- 2-azanyl-3-oxidanyl-benzoic acid
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- (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid
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