8-dodecylsulfanyl-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(laurylthio)-3-methyl-7-propyl-xanthine Formula: C21H36N4O2S MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H36N4O2S/c1-4-6-7-8-9-10-11-12-13-14-16-28-21-22-18-17(25(21)15-5-2)19(26)23-20(27)24(18)3/h4-16H2,1-3H3,(H,23,26,27)