1-[3-[2-(4-methoxyphenyl)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[2-(4-methoxyphenyl)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[2-(4-methoxyphenyl)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[2-(4-methoxyphenyl)ethylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[2-(4-methoxyphenyl)ethylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[2-(4-methoxyphenyl)ethylthio]propyl]-3,7-dimethyl-xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCC3=CC=C(C=C3)OC

InChI

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