8-hexylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-hexylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-hexylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(hexylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-hexylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(hexylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H30N4O3S/c1-5-6-7-8-15-30-21-23-19-18(20(27)25(3)22(28)24(19)2)26(21)14-13-16-9-11-17(29-4)12-10-16/h9-12H,5-8,13-15H2,1-4H3