7-hexadecyl-3-methyl-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-(methylthio)xanthine Formula: C23H40N4O2S MolecularWeight: 436.6543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

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