7-ethyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(phenacylthio)xanthine Formula: C16H16N4O3S MolecularWeight: 344.38824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H16N4O3S/c1-3-20-12-13(19(2)15(23)18-14(12)22)17-16(20)24-9-11(21)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,18,22,23)