8-dodecylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-dodecylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(laurylthio)-3-methyl-xanthine Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H34N4O2S/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/h5H,2,4,6-16H2,1,3H3,(H,23,26,27)