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

Systemtic Name: 3-methyl-7-phenethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-7-phenethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-phenethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-3-methyl-7-phenethyl-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)SCC=C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CCC3=CC=CC=C3

InChI

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