3-methyl-9-(phenylmethyl)-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-9-(phenylmethyl)-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-9-benzyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-9-(phenylmethyl)-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 9-benzyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-9-benzyl-3-methyl-xanthine Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(N2CC3=CC=CC=C3)SCC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(N2CC3=CC=CC=C3)SCC=C

InChI

InChI=1S/C16H16N4O2S/c1-3-9-23-16-17-12-13(21)18-15(22)19(2)14(12)20(16)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,18,21,22)