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

Systemtic Name: 8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22N4O3S/c1-5-26-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)11-10-12-6-8-13(25-4)9-7-12/h6-9H,5,10-11H2,1-4H3