3-methyl-8-phenacylsulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-phenacylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(phenacylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-phenacylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(phenacylthio)xanthine Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C17H16N4O3S/c1-3-9-21-13-14(20(2)16(24)19-15(13)23)18-17(21)25-10-12(22)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,19,23,24)