3-methyl-7-[(3-methylphenyl)methyl]-8-octadecylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-octadecylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-octadecylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(octadecylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-octadecylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(stearylthio)xanthine Formula: C32H50N4O2S MolecularWeight: 554.83

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C32H50N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-32-33-29-28(30(37)34-31(38)35(29)3)36(32)25-27-22-20-21-26(2)24-27/h20-22,24H,4-19,23,25H2,1-3H3,(H,34,37,38)