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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCCC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCCC3=CC=CC=C3)N(C1=O)C

InChI

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