1-[3-[(3,5-dimethylphenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(3,5-dimethylphenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(3,5-dimethylphenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(3,5-dimethylphenyl)methylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(3,5-dimethylphenyl)methylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(3,5-dimethylbenzyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C19H24N4O2S/c1-13-8-14(2)10-15(9-13)11-26-7-5-6-23-18(24)16-17(20-12-21(16)3)22(4)19(23)25/h8-10,12H,5-7,11H2,1-4H3