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

Systemtic Name: 1-[3-(4-tert-butylphenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(4-tert-butylphenyl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-tert-butylphenyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(4-tert-butylphenyl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4-tert-butylphenyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-20(2,3)14-7-9-15(10-8-14)27-12-6-11-24-18(25)16-17(21-13-22(16)4)23(5)19(24)26/h7-10,13H,6,11-12H2,1-5H3