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3-methyl-7-(3-phenoxypropyl)-8-(phenylmethylsulfanyl)purine-2,6-dione
3-methyl-7-(3-phenoxypropyl)-8-(phenylmethylsulfanyl)purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCCOC4=CC=CC=C4
Isomeric SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCCOC4=CC=CC=C4
InChI
InChI=1S/C22H22N4O3S/c1-25-19-18(20(27)24-21(25)28)26(13-8-14-29-17-11-6-3-7-12-17)22(23-19)30-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H,24,27,28)
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- 1-[5-(2,6-dimethylphenoxy)pentyl]imidazole
- methyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenoxypropyl)purin-8-yl]sulfanylethanoate
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- 3-methyl-1-(phenylmethyl)-7-propan-2-yl-8-pyrrolidin-1-yl-purine-2,6-dione
