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

Systemtic Name: 3-methyl-7-nonyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-nonyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-nonyl-8-(nonylthio)xanthine Formula: C24H42N4O2S MolecularWeight: 450.68088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H42N4O2S/c1-4-6-8-10-12-14-16-18-28-20-21(27(3)23(30)26-22(20)29)25-24(28)31-19-17-15-13-11-9-7-5-2/h4-19H2,1-3H3,(H,26,29,30)