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3,7-dimethyl-1-[3-[2-(3-methylphenoxy)ethylsulfanyl]propyl]purine-2,6-dione
3,7-dimethyl-1-[3-[2-(3-methylphenoxy)ethylsulfanyl]propyl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)OCCSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C
Isomeric SMILES
CC1=CC(=CC=C1)OCCSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C
InChI
InChI=1S/C19H24N4O3S/c1-14-6-4-7-15(12-14)26-9-11-27-10-5-8-23-18(24)16-17(20-13-21(16)2)22(3)19(23)25/h4,6-7,12-13H,5,8-11H2,1-3H3
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- 3,7-dimethyl-1-[3-[(E)-3-phenylprop-2-enyl]sulfanylpropyl]purine-2,6-dione
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