8-ethylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(ethylthio)-3-methyl-7-phenethyl-xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H18N4O2S/c1-3-23-16-17-13-12(14(21)18-15(22)19(13)2)20(16)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,18,21,22)