7-hexyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-(nonylthio)xanthine Formula: C21H36N4O2S MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H36N4O2S/c1-4-6-8-10-11-12-14-16-28-21-22-18-17(19(26)23-20(27)24(18)3)25(21)15-13-9-7-5-2/h4-16H2,1-3H3,(H,23,26,27)