8-ethylsulfanyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-ethylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-ethylsulfanyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-(ethylthio)-1,3-dimethyl-xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1C/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H20N4O2S/c1-4-25-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)12-8-11-13-9-6-5-7-10-13/h5-11H,4,12H2,1-3H3/b11-8+