8-ethylsulfanyl-1,3-dimethyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(ethylthio)-1,3-dimethyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(ethylthio)-1,3-dimethyl-7-phenacyl-xanthine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

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