1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenethylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenethylsulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(phenethylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(phenethylthio)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O2S/c1-13(2)12-23-15-16(21(3)19(25)22(4)17(15)24)20-18(23)26-11-10-14-8-6-5-7-9-14/h5-9H,1,10-12H2,2-4H3