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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-propylsulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-propylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(propylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-propylsulfanylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-(propylthio)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H20N4O2S/c1-6-7-21-13-15-11-10(18(13)8-9(2)3)12(19)17(5)14(20)16(11)4/h2,6-8H2,1,3-5H3