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

Systemtic Name: 3,7-dimethyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-(phenacylthio)xanthine Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H14N4O3S/c1-18-11-12(19(2)14(22)17-13(11)21)16-15(18)23-8-10(20)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,21,22)