7-[(E)-but-2-enyl]-3-methyl-8-phenethylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(phenethylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-(phenethylthio)xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H20N4O2S/c1-3-4-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-10-13-8-6-5-7-9-13/h3-9H,10-12H2,1-2H3,(H,20,23,24)/b4-3+