1,3-dimethyl-7-phenethyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-4-12-25-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)11-10-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3