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

Systemtic Name: 8-dodecylsulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(laurylthio)-3,7-dimethyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H32N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-26-19-20-16-15(22(19)2)17(24)21-18(25)23(16)3/h4-14H2,1-3H3,(H,21,24,25)