3,7-dimethyl-1-[3-(2,4,6-trimethylphenyl)sulfanylpropyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(2,4,6-trimethylphenyl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(2,4,6-trimethylphenyl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(2,4,6-trimethylphenyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(2,4,6-trimethylphenyl)sulfanylpropyl]purine-2,6-dione Traditional Name: 1-[3-(mesitylthio)propyl]-3,7-dimethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C19H24N4O2S/c1-12-9-13(2)16(14(3)10-12)26-8-6-7-23-18(24)15-17(20-11-21(15)4)22(5)19(23)25/h9-11H,6-8H2,1-5H3