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

Systemtic Name: 3-methyl-8-phenethylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(phenethylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-phenethylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(phenethylthio)xanthine Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C17H18N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,19,22,23)