1,3,7-trimethyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(phenacylthio)xanthine Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

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