7-hexadecyl-3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione Openeye Name: 7-hexadecyl-8-[(2S)-2-hydroxypropyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-hexadecyl-8-[[(2S)-2-hydroxypropyl]thio]-3-methylpurine-2,6-dione IUPAC Name: 7-hexadecyl-8-[(2S)-2-hydroxypropyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-cetyl-8-[[(2S)-2-hydroxypropyl]thio]-3-methyl-xanthine Formula: C25H44N4O3S MolecularWeight: 480.70686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SC[C@H](C)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H44N4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21-22(26-25(29)33-19-20(2)30)28(3)24(32)27-23(21)31/h20,30H,4-19H2,1-3H3,(H,27,31,32)/t20-/m0/s1