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4-(4-tert-butylphenyl)-2-methylsulfanyl-6-piperidin-1-yl-pyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-methylsulfanyl-6-piperidin-1-yl-pyrimidine-5-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCCCC3)C#N
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCCCC3)C#N
InChI
InChI=1S/C21H26N4S/c1-21(2,3)16-10-8-15(9-11-16)18-17(14-22)19(24-20(23-18)26-4)25-12-6-5-7-13-25/h8-11H,5-7,12-13H2,1-4H3
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- [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
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- 4-(4-methylphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile
- 4-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carbonitrile
