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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(phenacylthio)xanthine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H18N4O3S/c1-4-21-13-14(19(2)17(24)20(3)15(13)23)18-16(21)25-10-12(22)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3