8-heptylsulfanyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-heptylsulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-heptylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(heptylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(heptylthio)-3,7-dimethyl-xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H22N4O2S/c1-4-5-6-7-8-9-21-14-15-11-10(17(14)2)12(19)16-13(20)18(11)3/h4-9H2,1-3H3,(H,16,19,20)