3-methyl-7-[(4-methylphenyl)methyl]-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-8-nonylsulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(nonylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-nonylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-(nonylthio)xanthine Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H32N4O2S/c1-4-5-6-7-8-9-10-15-30-23-24-20-19(21(28)25-22(29)26(20)3)27(23)16-18-13-11-17(2)12-14-18/h11-14H,4-10,15-16H2,1-3H3,(H,25,28,29)