7-butyl-8-hexadecylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-hexadecylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-hexadecylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(hexadecylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-hexadecylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(cetylthio)-3-methyl-xanthine Formula: C26H46N4O2S MolecularWeight: 478.73404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C26H46N4O2S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-33-26-27-23-22(30(26)20-7-5-2)24(31)28-25(32)29(23)3/h4-21H2,1-3H3,(H,28,31,32)