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

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-dodecylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-dodecylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(laurylthio)-3-methyl-xanthine Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C25H36N4O2S/c1-3-4-5-6-7-8-9-10-11-15-18-32-25-26-22-21(23(30)27-24(31)28(22)2)29(25)19-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3,(H,27,30,31)