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3-methyl-8-(4-methylphenyl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione
3-methyl-8-(4-methylphenyl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C
Isomeric SMILES
CC1=CC=C(C=C1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C
InChI
InChI=1S/C22H22N4O2S/c1-15-10-12-17(13-11-15)29-22-23-19-18(20(27)24-21(28)25(19)2)26(22)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,24,27,28)
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