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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(phenacylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(phenacylthio)xanthine Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H20N4O3S/c1-12(2)10-23-15-16(21(3)19(26)22(4)17(15)25)20-18(23)27-11-14(24)13-8-6-5-7-9-13/h5-9H,1,10-11H2,2-4H3