8-dodecylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-8-(laurylthio)-3-methyl-xanthine Formula: C23H40N4O2S MolecularWeight: 436.6543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N4O2S/c1-5-6-7-8-9-10-11-12-13-14-17-30-23-24-20-19(27(23)16-15-18(2)3)21(28)25-22(29)26(20)4/h18H,5-17H2,1-4H3,(H,25,28,29)