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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-pentylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(pentylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H22N4O2S/c1-5-6-7-8-22-15-16-12-11(19(15)9-10(2)3)13(20)17-14(21)18(12)4/h2,5-9H2,1,3-4H3,(H,17,20,21)