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

Systemtic Name: 3-methyl-7-nonyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-nonyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-(octylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-nonyl-8-(octylthio)xanthine Formula: C23H40N4O2S MolecularWeight: 436.6543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H40N4O2S/c1-4-6-8-10-12-13-15-17-27-19-20(26(3)22(29)25-21(19)28)24-23(27)30-18-16-14-11-9-7-5-2/h4-18H2,1-3H3,(H,25,28,29)