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

Systemtic Name: 1-[3-[(2-ethoxyphenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(2-ethoxyphenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(2-ethoxyphenyl)methylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(2-ethoxyphenyl)methylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(2-ethoxybenzyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCOC1=CC=CC=C1CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C19H24N4O3S/c1-4-26-15-9-6-5-8-14(15)12-27-11-7-10-23-18(24)16-17(20-13-21(16)2)22(3)19(23)25/h5-6,8-9,13H,4,7,10-12H2,1-3H3