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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-propylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-propylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(propylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-propylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(propylthio)xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-5-6-20-13-14-10-9(17(13)7-8(2)3)11(18)15-12(19)16(10)4/h2,5-7H2,1,3-4H3,(H,15,18,19)