3-methyl-7-octyl-8-octylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(octylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-octyl-8-(octylthio)xanthine Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H38N4O2S/c1-4-6-8-10-12-14-16-26-18-19(25(3)21(28)24-20(18)27)23-22(26)29-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,24,27,28)