7-ethyl-1,3-dimethyl-8-phenethylsulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(phenethylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(phenethylthio)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N4O2S/c1-4-21-13-14(19(2)17(23)20(3)15(13)22)18-16(21)24-11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3